⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL89327 | 0.80 | — | — | |
| Methane SCHEMBL595114 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL27731613 | 0.78 | — | — | |
| SCHEMBL29053757 | 0.72 | GSK3A (0.55) | — | |
| SCHEMBL18324454 | 0.67 | — | — | |
| SCHEMBL1035336 | 0.66 | — | — | |
| SCHEMBL13584912 | 0.65 | — | — | |
| SCHEMBL11816980 | 0.64 | GSK3A (0.41) | — | |
| SCHEMBL586833 | 0.64 | — | — | |
| SCHEMBL3675360 | 0.61 | GSK3A (0.47) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0267277-A4 | COMPOSITIONS COMPRISING 1-SUBSTITUTED LACTAMS. | NELSON RES & DEV COMPANY (US) | 1990-03-21 | — | — | EP | claimed |
| US-4755535-A | Compositions comprising 1-substituted azacycloalkenes | NELSON RESEARCH & DEVELOPMENT CO. (US) | 1988-07-05 | — | — | US | claimed |
| EP-0267277-A1 | COMPOSITIONS COMPRISING 1-SUBSTITUTED LACTAMS. | NELSON RES & DEV (US) | 1988-05-18 | — | — | EP | claimed |
| WO-1987006583-A1 | COMPOSITIONS COMPRISING 1-SUBSTITUTED LACTAMS | NELSON RESEARCH AND DEVELOPMENT COMPANY (US) | 1987-11-05 | — | — | WO | claimed |
| WO-2022210479-A1 | USE OF AZEPANE DERIVATIVE FOR TREATMENT, AMELIORATION OR PREVENTION OF κ-OPIOID RECEPTOR-RELATED DISEASES | 日本ケミファ株式会社 | 2022-10-06 | — | — | WO | disclosed |
| CN-106957305-B | Alkaloid compound in anabasine root and preparation method thereof | 中国科学院新疆理化技术研究所 | 2022-08-30 | — | — | CN | disclosed |
| US-20200038378-A1 | BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE | GENENTECH, INC. | 2020-02-06 | — | — | US | disclosed |
| WO-2019195201-A1 | BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE | ARVINAS OPERATIONS, INC. (US) | 2019-10-10 | — | — | WO | disclosed |
| US-9688644-B2 | Synthesis of Tetracyclines and intermediates thereto | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2017-06-27 | — | — | US | disclosed |
| EP-3138831-A1 | SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF | President and Fellows of Harvard College (US) | 2017-03-08 | — | — | EP | disclosed |
| US-9301957-B2 | Immediate release 4-methyl-3-4[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-N-[5-(4-methyl-1H-imidazol-1-YL)-3-(trifluoromethyl)phenyl] benzamide formulation | NOVARTIS AG (CH) | 2016-04-05 | — | — | US | disclosed |
| EP-2651916-A2 | C-17-HETEROARYL STEROIDAL COMPOUNDS AS INHIBITORS OF CYP11B, CYP17, AND/OR CYP21 | BioMarin Pharmaceutical Inc. (US) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012083112-A2 | CYP11B, CYP17, AND/OR CYP21 INHIBITORS | BIOMARIN PHARMACEUTICAL INC. (US) | 2012-06-21 | — | — | WO | disclosed |
| WO-1998005664-A1 | 6,7,8,9-TETRAHYDRO-5H-IMIDAZO[1,2-a]AZEPINE-3-ACETIC ACID DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF | SYNTHELABO (FR) | 1998-02-12 | — | — | WO | disclosed |
| EP-0299663-A2 | Antihistaminic aromatic tetrahydroazepinones (and thiones) | A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) | 1989-01-18 | — | — | EP | disclosed |