⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19595018 | 1.00 | — | — | |
| SCHEMBL3935708 | 1.00 | — | — | |
| SCHEMBL3932444 | 0.88 | — | — | |
| SCHEMBL397148 | 0.88 | — | — | |
| SCHEMBL7909866 | 0.87 | NOS2 (0.35) | — | |
| SCHEMBL11896317 | 0.87 | NOS2 (0.35) | — | |
| SCHEMBL9457704 | 0.87 | NOS2 (0.35) | — | |
| SCHEMBL7911976 | 0.87 | NOS2 (0.35) | — | |
| SCHEMBL9017190 | 0.87 | NOS2 (0.35) | — | |
| SCHEMBL7910017 | 0.87 | NOS2 (0.35) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1090005-B1 | PYRAZOLO 1,5-a]TRIAZINE CORTICOTROPIN RELEASING FACTOR ANTAGONISTS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2003-08-20 | — | — | EP | claimed |
| US-6509338-B1 | Psychiatric disorders and neurological diseases including affective disorder, anxiety, depression, headache, irritable bowel syndrome, post-traumatic stress disorder, supranuclear palsy, immune suppression, Alzheimer's disease, | BRISTOL-MYERS SQUIBB COMPANY | 2003-01-21 | — | — | US | claimed |
| EP-1090005-A1 | PYRAZOLO 1,5-a]TRIAZINE CORTICOTROPIN RELEASING FACTOR ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2001-04-11 | — | — | EP | claimed |
| WO-1999067247-A1 | PYRAZOLO[1,5-a]TRIAZINE CORTICOTROPIN RELEASING FACTOR ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-12-29 | — | — | WO | claimed |
| CN-104812748-B | Pyrazoline GPR40 conditioning agents | 百时美施贵宝公司 | 2017-10-24 | — | — | CN | disclosed |
| EP-1090005-B1 | PYRAZOLO 1,5-a]TRIAZINE CORTICOTROPIN RELEASING FACTOR ANTAGONISTS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2003-08-20 | — | — | EP | disclosed |
| US-6509338-B1 | Psychiatric disorders and neurological diseases including affective disorder, anxiety, depression, headache, irritable bowel syndrome, post-traumatic stress disorder, supranuclear palsy, immune suppression, Alzheimer's disease, | BRISTOL-MYERS SQUIBB COMPANY | 2003-01-21 | — | — | US | disclosed |
| EP-1090005-A1 | PYRAZOLO 1,5-a]TRIAZINE CORTICOTROPIN RELEASING FACTOR ANTAGONISTS | Du Pont Pharmaceuticals Company (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-1999067247-A1 | PYRAZOLO[1,5-a]TRIAZINE CORTICOTROPIN RELEASING FACTOR ANTAGONISTS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-12-29 | — | — | WO | disclosed |