⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL193797 | 0.71 | — | — | |
| SCHEMBL645101 | 0.71 | — | — | |
| SCHEMBL192562 | 0.67 | — | — | |
| SCHEMBL14126148 | 0.67 | — | — | |
| SCHEMBL2984543 | 0.67 | — | — | |
| SCHEMBL4426806 | 0.63 | ALDH1A1 (0.55) | — | |
| SCHEMBL1067683 | 0.62 | CYP2A6 (0.32) | — | |
| SCHEMBL21268201 | 0.62 | — | — | |
| SCHEMBL272417 | 0.62 | KIF11 (0.43) | — | |
| SCHEMBL8658604 | 0.62 | CYP2A6 (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 114 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108264499-B | Preparation method of benzodiazepine derivative | 江苏恒瑞医药股份有限公司 | 2020-10-20 | — | — | CN | claimed |
| CN-108264499-A | A kind of preparation method of benzodiazepine * derivatives | 江苏恒瑞医药股份有限公司 | 2018-07-10 | — | — | CN | claimed |
| EP-1155001-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2003-05-28 | — | — | EP | claimed |
| US-6417195-B1 | LIBRARIES AND COMBINATORIAL CHEMISTRY | LION BIOSCIENCE AG (DE) | 2002-07-09 | — | — | US | claimed |
| EP-1155001-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2001-11-21 | — | — | EP | claimed |
| WO-2000050406-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2000-08-31 | — | — | WO | claimed |
| EP-0863877-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INST (US) | 1999-07-21 | — | — | EP | claimed |
| US-5916899-A | SOLID PHASE SYNTHESIS, REACTING PROTECTED AMINO ACID WITH SOLID SUPPORT; FORMING IMINE BY REACTION WITH ALDEHYDE, CYCLIZATION WITH ANHYDRIDE, CLEAVAGE AND DEPROTECTION. | TREGA BIOSCIENCES, INC. (US) | 1999-06-29 | — | — | US | claimed |
| US-5874443-A | BIOSYNTHESIS | TREGA BIOSCIENCES, INC. (US) | 1999-02-23 | — | — | US | claimed |
| EP-0863877-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1998-09-16 | — | — | EP | claimed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | claimed |
| CN-118339152-A | Macrocyclic compounds having farnesyl transferase inhibitory activity | 库拉肿瘤学公司 | 2024-07-12 | — | — | CN | disclosed |
| CN-117580569-A | Heterocyclic aldehyde capture compounds and uses thereof | 奥尔德拉医疗公司 | 2024-02-20 | — | — | CN | disclosed |
| CN-115433192-B | Method for synthesizing intermediate for preparing BRD4 protein inhibitor | 博诺康源(北京)药业科技有限公司 | 2024-01-30 | — | — | CN | disclosed |
| EP-4308569-A1 | SELECTIVE MODULATORS OF ATAXIA TELANGIECTASIA MUTATED (ATM) KINASE AND USES THEREOF | Suzhou Zanrong Pharma Limited (CN) | 2024-01-24 | — | — | EP | disclosed |
| EP-0809492-A1 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-12-03 | — | — | EP | disclosed |
| WO-1997029743-A1 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-08-21 | — | — | WO | disclosed |
| WO-1997016428-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-05-09 | — | — | WO | disclosed |
| WO-1996025157-A1 | IL-8 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-08-22 | — | — | WO | disclosed |
| EP-0072029-B1 | TRIAZOLOBENZAZEPINES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1986-10-22 | — | — | EP | disclosed |