⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5508500 | 1.00 | — | — | |
| SCHEMBL5046724 | 1.00 | — | — | |
| SCHEMBL5046731 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL5046727 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL5043789 | 0.79 | CRHR1 (0.32) | — | |
| SCHEMBL5043790 | 0.79 | CRHR1 (0.32) | — | |
| SCHEMBL5518463 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL5518459 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL5043157 | 0.76 | CRHR1 (0.31) | — | |
| SCHEMBL5043160 | 0.76 | CRHR1 (0.31) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7432283-B2 | Heterocyclic GABAA subtype selective receptor modulators | ROCHE PALO ALTO LLC (US) | 2008-10-07 | — | — | US | disclosed |
| US-7432283-B2 | Heterocyclic GABAA subtype selective receptor modulators | ROCHE PALO ALTO LLC (US) | 2008-10-07 | — | — | US | disclosed |
| US-7432283-B2 | Heterocyclic GABAA subtype selective receptor modulators | ROCHE PALO ALTO LLC (US) | 2008-10-07 | — | — | US | disclosed |
| US-7268146-B2 | Ring fused pyrazole derivatives as CRF antagonists | PALO ALTO LLC (US) | 2007-09-11 | — | — | US | disclosed |
| EP-1453832-B1 | RING FUSED PYRAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-08-09 | — | — | EP | disclosed |
| US-20060135555-A1 | (3,4-Dihydro-1H-isoquinolin-2-yl)-[2-methyl-7-(2,4,6-trimethyl-phenyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridin-3-yl]-methanone; Corticotropin releasing factor (CRF); stress-related illnesses, mood disorders such as depression, major depressive disorder, single episode depression | ROCHE PALO ALTO LLC | 2006-06-22 | — | — | US | disclosed |
| US-7053103-B2 | Ring fused pyrazole derivatives as CRF antagonists | SYNTEX (U.S.A.) LLC (US) | 2006-05-30 | — | — | US | disclosed |
| US-20050197330-A1 | Heterocyclic GABAA subtype selective receptor modulators | ROCHE PALO ALTO LLC | 2005-09-08 | — | — | US | disclosed |
| US-20050014781-A1 | Ring fused pyrazole derivatives as CRF antagonists | LOUGHHEAD DAVID GARRETT (US) | 2005-01-20 | — | — | US | disclosed |
| US-6821984-B2 | FOR THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES | SYNTEX (U.S.A.) LLC | 2004-11-23 | — | — | US | disclosed |