⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6740232 | 0.87 | CRHR1 (0.45) | — | |
| SCHEMBL6732895 | 0.82 | — | — | |
| SCHEMBL6732639 | 0.78 | — | — | |
| SCHEMBL7034204 | 0.76 | — | — | |
| SCHEMBL7032751 | 0.71 | — | — | |
| SCHEMBL7819403 | 0.70 | — | — | |
| SCHEMBL7036941 | 0.69 | — | — | |
| SCHEMBL7036734 | 0.69 | — | — | |
| SCHEMBL6929345 | 0.69 | CRHR1 (0.49) | — | |
| SCHEMBL6742523 | 0.67 | CRHR1 (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140929-B1 | 1H-IMIDAZO 4,5-D]PYRIDAZIN-7-ONES, 3H-IMIDAZO 4,5-C]PYRIDIN-4-ONES AND CORRESPONDING THIONES AS CORTICOTROPIN RELEASING FACTOR (CRF) RECEPTOR LIGANDS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2003-10-15 | — | — | EP | disclosed |
| US-6518271-B1 | 1H-imidazo[4,5-d]pyridazin-7-one, and corresponding thiones as corticotropin releasing factor (CRF) receptor ligands | BRISTOL-MYERS SQUIBB COMPANY | 2003-02-11 | — | — | US | disclosed |
| US-6271380-B1 | TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC, NEUROLOGICAL DISORDERS AS WELL IMMUNOLOGICAL, CARDIOVASCULAR OR HEART-RELATED DISEASES AND COLONIC HYPERSENSITIVITY ASSOCIATED WITH PSYCHOPATHOLOGICAL DISTURBANCE AND STRESS. | DUPONT PHARMACEUTICALS COMPANY | 2001-08-07 | — | — | US | disclosed |