⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL286915 | 0.65 | — | — | |
| SCHEMBL19124 | 0.65 | — | — | |
| SCHEMBL17941614 | 0.65 | — | — | |
| SCHEMBL23008 | 0.64 | — | — | |
| SCHEMBL126263 | 0.64 | — | — | |
| SCHEMBL449907 | 0.62 | — | — | |
| Benzo[D]Isoxazole SCHEMBL8438 | 0.62 | — | — | |
| Benzo[D]Isoxazole SCHEMBL1355530 | 0.62 | — | — | |
| SCHEMBL190851 | 0.61 | — | — | |
| SCHEMBL18987 | 0.61 | CYP1A2 (0.39) | — |
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 997 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024145659-A1 | HETEROCYCLE FUSED GAMMA-CARBOLINES ACTING ON THE SEROTONINE 5-HT2A RECEPTOR | INTRA-CELLULAR THERAPIES, INC. (US) | 2024-07-04 | — | — | WO | claimed |
| EP-3717477-B1 | NEW HETEROCYCLIC COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2022-07-20 | — | — | EP | claimed |
| US-20200392125-A1 | HETEROCYCLIC COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 2020-12-17 | — | — | US | claimed |
| EP-2763997-B1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2017-08-02 | — | — | EP | claimed |
| US-9346824-B2 | Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists | HOFFMAN-LA ROCHE, INC. (US) | 2016-05-24 | — | — | US | claimed |
| EP-2763997-A1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | claimed |
| US-20140221350-A1 | Cyclohexyl-4H,6H-5-oxa-2,3,10b-triaza-benzo[e]azulenes as V1a antagonists | HOFFMANN-LA ROCHE INC. (US) | 2014-08-07 | — | — | US | claimed |
| US-20140155407-A1 | SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES | UNIVERSITAET DES SAARLANDES (DE) | 2014-06-05 | — | — | US | claimed |
| EP-2630136-A1 | SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES | Universität des Saarlandes (DE) | 2013-08-28 | — | — | EP | claimed |
| WO-2013050334-A1 | CYCLOHEXYL-4H,6H-5-OXA-2,3,10B-TRIAZA-BENZO[E]AZULENES AS V1A ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-04-11 | — | — | WO | claimed |
| EP-1960355-A1 | 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES | F.HOFFMANN-LA ROCHE AG (CH) | 2008-08-27 | — | — | EP | claimed |
| WO-2007104558-A1 | THIAZOLES AS NF-KB INHIBITORS (PROTEASOME INHIBITORS) | 4SC AG (DE) | 2007-09-20 | — | — | WO | claimed |
| US-20070219190-A1 | Heterocyclic NF-kB Inhibitors | 4SC AG (DE) | 2007-09-20 | — | — | US | claimed |
| EP-1834954-A1 | Thiazoles as NF-kB Inhibitors (proteasome inhibitors) | 4SC AG (DE) | 2007-09-19 | — | — | EP | claimed |
| US-20070213333-A1 | Substituted arylalkanoic acid derivatives and use thereof | ASAHI KASEI PHAMA CORPORATION (JP) | 2007-09-13 | — | — | US | claimed |
| WO-2007062996-A1 | 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-06-07 | — | — | WO | claimed |
| US-20070123527-A1 | 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof | ROCHE PALO ALTO LLC | 2007-05-31 | — | — | US | claimed |
| WO-2001068605-A1 | POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2001-09-20 | — | — | WO | claimed |
| WO-1999045013-A1 | 4,5,6,7-TETRAHYDRO-THIENO[3,2-c]PYRIDINE DERIVATIVES | NOVO NORDISK A/S (DK) | 1999-09-10 | — | — | WO | claimed |
| EP-0822187-A1 | PYRAZOLE DERIVATIVES AND HERBICIDES | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1998-02-04 | — | — | EP | claimed |