Chemical, Markush Structure Search

Finding exact, similar and generic chemical structures for you!

Chemical Structure Search

Chemical structure search is a pivotal process in the fields of chemistry, pharmaceuticals, biotechnology, and various other industries. It involves the identification of chemical compounds that are identical or bear a resemblance to a target chemical structure. This technique plays a crucial role in research and development, facilitating the discovery of new compounds, ensuring compliance with regulatory standards, and aiding in the patenting process. Chemical structure searches are categorized into several types, each serving a specific purpose:

1. Exact Structure Search: This search yields results that are precise matches to the query, identifying compounds with the exact same chemical structure. It is essential for confirming the uniqueness of a chemical compound or for finding specific compounds within databases.

2. Family Structure Search: This broader search includes results for chemical structures and their derivatives, such as salts, hydrates, solvates, mixtures, geometric isomers, stereoisomers, racemic mixtures, tautomers, charged compounds, radicals, radical ions, isotopes, coordination compounds, and zwitterions. It is particularly useful for understanding the scope of a chemical's variations and its related compounds.

3. Substructure Search: This search focuses on identifying compounds that contain a specific substructure within their molecules. It allows for the inclusion of variables and optional substitutions at defined positions, making it invaluable for researchers looking for compounds with particular functional groups or molecular frameworks.

4. Fragment Search: Targets individual pieces or fragments of chemical structures. This search is beneficial for identifying similar fragments across different molecules, aiding in the design of new compounds with desired chemical properties.

The application of chemical structure search spans across multiple industries, including the chemical, pharmaceutical, agricultural, biotech, polymer, paper, food, and textile sectors. It is instrumental in identifying identical or similar chemical structures, facilitating the exploration of chemical space for novel compound discovery, understanding the relationship between chemical structure and activity, and avoiding infringement on existing patents.

By leveraging chemical structure search tools, researchers and professionals can accelerate the pace of innovation, optimize the development of new products, and enhance the understanding of compound properties and functions.

Markush Structure Search

Markush structures represent a powerful tool in the realm of intellectual property, particularly within the chemical, pharmaceutical, and biotechnology industries. These structures enable inventors to claim a broad range of functionally equivalent chemical entities through a single generic representation, thereby simplifying patent applications and protecting a wider array of innovations with fewer documents.

The flexibility of Markush structures comes from their ability to incorporate variations in several aspects, including:

1. Substituent Variation: Different groups can be attached to the core structure.

2. Atom and Bond Variation: Variations in the types of atoms and bonds within the molecule.

3. Position Variation: Different positions of functional groups within the molecule.

4. Homology Variation: Variations in the carbon chain lengths.

5. Repeating Units: Polymers with varying numbers of repeating units.

These variations enable a single Markush structure to cover an extensive range of specific compounds, making them invaluable for patent attorneys working in sectors that rely heavily on chemical innovations. Our firm, Mark IP, specializes in identifying the most relevant chemical and Markush structures for our clients, drawing from an extensive database of over 160 million such structures.

The primary uses of Markush structure search include:

1. Identifying identical or functionally equivalent chemical structures.

2. Accurately defining the scope of patent claims to ensure comprehensive protection.

3. Preventing litigation by avoiding infringement on existing patents.

4. Identifying "white spaces" in the patent landscape where opportunities for innovation exist without infringing on existing patents.

For conducting thorough Markush structure searches, several key databases are essential:

1. STN International: Offers access to comprehensive databases like CAPlus, Registry, MARPAT, and CASLINK, among others.

2. SureChEMBL, WIPO Structure Search, PubChem, eMolecules, ChemSpider: These databases provide access to a vast array of chemical structures, including patented chemical information.

3. DWPI (Derwent World Patents Index): A valuable resource for accessing patent information on a global scale.

4. Patent Databases: Google Patents, SIP, Lens, FPO, USPTO, EPO, IPO, SIPO, KIPO, JPO offer access to patent documents and applications from around the world.

5. Scientific Literature: PubMed, PubChem, Google Scholar, ScienceDirect, Springer, Scopus, Wiley, ACS, etc., for research articles and scientific papers relevant to chemical structures and patents.

Markush structure search is crucial for navigating the complex landscape of chemical patents, enabling the efficient identification of patentable chemical compounds and the strategic planning of patent applications to maximize protection and innovation potential.