⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5242459 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL29935533 | 0.76 | — | — | |
| SCHEMBL4706659 | 0.74 | — | — | |
| SCHEMBL743262 | 0.74 | — | — | |
| SCHEMBL1721252 | 0.73 | — | — | |
| SCHEMBL28347353 | 0.73 | — | — | |
| SCHEMBL1721292 | 0.72 | — | — | |
| SCHEMBL11765618 | 0.71 | — | — | |
| Methylamine SCHEMBL8761530 | 0.70 | — | — | |
| SCHEMBL28169170 | 0.70 | — | — |
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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2496559-B1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE AND THEIR USE AS HSD 1 INHIBITORS | VITAE PHARMACEUTICALS INC (US) | 2018-01-10 | — | — | EP | disclosed |
| US-9663470-B2 | Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline | VITAE PHARMACEUTICALS, INC. (US) | 2017-05-30 | — | — | US | disclosed |
| US-9663470-B2 | Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline | VITAE PHARMACEUTICALS, INC. (US) | 2017-05-30 | — | — | US | disclosed |
| US-20160272590-A1 | ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-09-22 | — | — | US | disclosed |
| US-9328072-B2 | Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline | VITAE PHARMACEUTICALS, INC. (US) | 2016-05-03 | — | — | US | disclosed |
| US-9328072-B2 | Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline | VITAE PHARMACEUTICALS, INC. (US) | 2016-05-03 | — | — | US | disclosed |
| CN-105037326-A | Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline | VITAE PHARMACEUTICALS INC | 2015-11-11 | — | — | CN | disclosed |
| US-9120769-B2 | Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline | BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) | 2015-09-01 | — | — | US | disclosed |
| US-9120769-B2 | Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline | BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) | 2015-09-01 | — | — | US | disclosed |
| CN-102666491-B | Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline | VITAE PHARMACEUTICALS INC | 2015-06-24 | — | — | CN | disclosed |
| US-5952336-A | ANTIFERTILITY AGENTS, CONTRACEPTIVES | RESEARCH TRIANGLE INSTITUTE (US) | 1999-09-14 | — | — | US | disclosed |
| WO-1998033525-A1 | HEXAHYDROINDENOPYRIDINE COMPOUNDS HAVING ANTISPERMATOGENIC ACTIVITY | RESEARCH TRIANGLE INSTITUTE (US) | 1998-08-06 | — | — | WO | disclosed |
| WO-1998033525-A1 | HEXAHYDROINDENOPYRIDINE COMPOUNDS HAVING ANTISPERMATOGENIC ACTIVITY | RESEARCH TRIANGLE INSTITUTE (US) | 1998-08-06 | — | — | WO | disclosed |
| EP-0505510-A4 | ANTIPSYCHOTIC HEXAHYDRO-2-I(H)-INDENO 1,2-C)PYRIDINE DERIVATIVES | MCNEILAB INC (US) | 1994-08-10 | — | — | EP | disclosed |
| US-5319084-A | Orally active male contraceptive with limited side effects | RESEARCH TRIANGLE INSTITUTE (US) | 1994-06-07 | — | — | US | disclosed |
| US-5319084-A | Orally active male contraceptive with limited side effects | RESEARCH TRIANGLE INSTITUTE (US) | 1994-06-07 | — | — | US | disclosed |
| US-5319084-A | Orally active male contraceptive with limited side effects | RESEARCH TRIANGLE INSTITUTE (US) | 1994-06-07 | — | — | US | disclosed |
| EP-0505510-A1 | ANTIPSYCHOTIC HEXAHYDRO-2$i(H)-INDENO 1,2-c]PYRIDINE DERIVATIVES | MCNEILAB, INC. (US) | 1992-09-30 | — | — | EP | disclosed |
| US-5075315-A | Dopamine, serotonin antagonists | MCNEILAB, INC. (US) | 1991-12-24 | — | — | US | disclosed |
| WO-1991017992-A1 | ANTIPSYCHOTIC HEXAHYDRO-2H-INDENO[1,2-c]PYRIDINE DERIVATIVES | MCNEILAB INC. (US) | 1991-11-28 | — | — | WO | disclosed |