⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7498453 | 0.91 | CRHR1 (0.49) | — | |
| SCHEMBL7499636 | 0.91 | — | — | |
| SCHEMBL7508399 | 0.89 | — | — | |
| SCHEMBL7504445 | 0.88 | — | — | |
| SCHEMBL7498663 | 0.86 | — | — | |
| SCHEMBL7497436 | 0.86 | — | — | |
| SCHEMBL7501071 | 0.85 | — | — | |
| SCHEMBL7507166 | 0.85 | — | — | |
| SCHEMBL7499913 | 0.84 | — | — | |
| SCHEMBL7498871 | 0.83 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0927171-B1 | PYRAZINONES AND TRIAZINONES AND THEIR DERIVATIVES THEREOF | DU PONT PHARM CO (US) | 2002-02-20 | — | — | EP | claimed |
| EP-0927171-B1 | PYRAZINONES AND TRIAZINONES AND THEIR DERIVATIVES THEREOF | DU PONT PHARM CO (US) | 2002-02-20 | — | — | EP | disclosed |
| US-6218391-B1 | CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONISTS USED IN THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES SUCH AS MAJOR DEPRESSION, ANXIETY-RELATED DISORDER, POST-TRAUMATIC STRESS DISORDER, SUPRANUCLEAR PALSY | DUPONT PHARMACEUTICALS COMPANY | 2001-04-17 | — | — | US | disclosed |
| US-6159980-A | Pyrazinones and triazinones and their derivatives thereof | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-12-12 | — | — | US | disclosed |