⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17941617 | 0.67 | — | — | |
| SCHEMBL23182 | 0.65 | — | — | |
| SCHEMBL126263 | 0.65 | — | — | |
| SCHEMBL450565 | 0.64 | — | — | |
| SCHEMBL22858 | 0.64 | — | — | |
| SCHEMBL454139 | 0.62 | — | — | |
| SCHEMBL12043521 | 0.62 | CYP1A2 (0.44) | — | |
| SCHEMBL8936 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL10940081 | 0.62 | SLC6A3 (0.38) | — | |
| SCHEMBL4579663 | 0.62 | SLC6A3 (0.38) | — |
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 855 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-1778639-B1 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RES INC (US) | 2015-09-02 | — | — | EP | 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-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-2188282-B1 | 1,2-DIAMIDO-ETHYLENE DERIVATIVES AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-01-23 | — | — | EP | claimed |
| US-8236796-B2 | Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-08-07 | — | — | US | claimed |
| WO-2012052540-A1 | SELECTIVE CYP11B1 INHIBITORS FOR THE TREATMENT OF CORTISOL DEPENDENT DISEASES | UNIVERSITAET DES SAARLANDES (DE) | 2012-04-26 | — | — | WO | claimed |
| EP-0831829-B1 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER (US) | 2003-08-20 | — | — | EP | claimed |
| JP-3290666-B2 | — | — | 2002-06-10 | — | — | JP | 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-0831829-A4 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER (US) | 1998-11-25 | — | — | EP | claimed |
| EP-0831829-A1 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER INC. (US) | 1998-04-01 | — | — | EP | claimed |
| EP-0822187-A1 | PYRAZOLE DERIVATIVES AND HERBICIDES | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1998-02-04 | — | — | EP | claimed |
| WO-1996040142-A1 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER INC. (US) | 1996-12-19 | — | — | WO | claimed |
| US-5580870-A | ANTICARCINOGENIC AGENTS | ZENECA LIMITED (GB) | 1996-12-03 | — | — | US | claimed |
| EP-0602851-B1 | Quinazoline derivatives | ZENECA LTD (GB) | 1996-10-09 | — | — | EP | claimed |
| EP-0602851-A1 | Quinazoline derivatives | ZENECA LIMITED (GB) | 1994-06-22 | — | — | EP | claimed |