CIPSI: An open chemical intellectual property service for medicinal chemists

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• dc.contributor.author Martínez Sevillano, María
• dc.contributor.author Falaguera Mata, Maria José, 1994-
• dc.contributor.author Mestres i López, Jordi
• dc.date.accessioned 2024-10-29T07:27:46Z
• dc.date.available 2024-10-29T07:27:46Z
• dc.date.issued 2024
• dc.description.abstract The availability of patent chemical data offers public access to a chemical space that is not well covered by other sources collecting small molecules from scholarly literature. However, open applications to facilitate the search and analysis of biologically-relevant molecular structures present in patents are still largely missing. We have developed CIPSI, an open Chemical Intellectual Property Service @ IMIM to assist medicinal chemists in searching and analysing molecules in SureChEMBL patents. The current version contains 6,240,500 molecules from 236,689 pharmacological patents, of which 5,949,214 are confidently assigned to core chemical structures reminiscent of the Markush structure in the patent claim. The platform includes some graphical tools to facilitate comparative patent analyses between drugs, chemical substructures, and company assignees. CIPSI is available at https://cipsi.org.
• dc.description.sponsorship This work was supported by the Spanish Ministry of Science and Innovation under the “Proof of Concept” project grant PDC2021-120938-I00.
• dc.format.mimetype application/pdf
• dc.identifier.citation Martinez-Sevillano M, Falaguera MJ, Mestres J. CIPSI: An open chemical intellectual property service for medicinal chemists. Mol Inform. 2024 Jan;43(1):e202300221. DOI: 10.1002/minf.202300221
• dc.identifier.doi http://dx.doi.org/10.1002/minf.202300221
• dc.identifier.issn 1868-1743
• dc.identifier.uri http://hdl.handle.net/10230/68380
• dc.language.iso eng
• dc.publisher Wiley
• dc.relation.ispartof Mol Inform. 2024 Jan;43(1):e202300221
• dc.relation.projectID info:eu-repo/grantAgreement/ES/3PE/PDC2021-120938-I00
• dc.rights © 2023 The Authors. Molecular Informatics published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution-NonCommercial-NoDerivs License (http://creativecommons.org/licenses/by-nc-nd/4.0/), which permits use and distribution in any medium, provided the original work is properly cited, the use is non-commercial and no modifications or adaptations are made.
• dc.rights.accessRights info:eu-repo/semantics/openAccess
• dc.rights.uri http://creativecommons.org/licenses/by-nc-nd/4.0/
• dc.subject.keyword Patent chemistry
• dc.subject.keyword SureChEMBL
• dc.subject.keyword Comparative patent analyses
• dc.subject.keyword Core chemical structures
• dc.subject.keyword Patent annotation
• dc.title CIPSI: An open chemical intellectual property service for medicinal chemists
• dc.type info:eu-repo/semantics/article
• dc.type.version info:eu-repo/semantics/publishedVersion