⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7217203 | 0.97 | LTA4H (0.32) | — | |
| SCHEMBL4830064 | 0.88 | PIK3CD (0.35) | — | |
| SCHEMBL24075607 | 0.81 | — | — | |
| SCHEMBL18349446 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL509933 | 0.81 | — | — | |
| SCHEMBL701882 | 0.80 | — | — | |
| SCHEMBL6204067 | 0.80 | — | — | |
| SCHEMBL22519342 | 0.80 | — | — | |
| SCHEMBL21319612 | 0.80 | — | — | |
| SCHEMBL15305568 | 0.80 | — | — |
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-6525056-B2 | A fused nitrogen containing heterocyclic compound useful for treating psychiatric and neurological disorders, anxiety, post-traumatic stress, supranuclear palsy, feeding, immunological, cardiovascular and hypersensitivity disorders | BRISTOL-MYERS SQUIBB COMPANY | 2003-02-25 | — | — | US | disclosed |
| US-6448261-B1 | CORTICOTROPIN RELEASING FACTOR ANTAGONISTS; TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC AND NEUROLOGICAL DISORDERS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-09-10 | — | — | US | disclosed |
| EP-1012151-B1 | HETEROCYCLYL-SUBSTITUTED RING-FUSED PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING HORMONE (CRH) ANTAGONISTS, USEFUL FOR TREATING CNS AND STRESS-RELATED DISORDERS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2002-08-07 | — | — | EP | disclosed |
| EP-0935601-A4 | ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES | DU PONT PHARM CO (US) | 2002-08-07 | — | — | EP | disclosed |
| US-20010025042-A1 | Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone (CRH) antagonists, useful for treating cns and stress-related disorders | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2001-09-27 | — | — | US | disclosed |
| US-6245769-B1 | Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone(CRH) antagonists, useful for treating CNS and stress-related disorders | DUPONT PHARMACEUTICALS COMPANY | 2001-06-12 | — | — | US | disclosed |
| US-6107300-A | CORTICOTROPIN RELEASING FACTOR ANTAGONIST; PSYCHOLOGICAL DISORDERS | DUPONT PHARMACEUTICALS (US) | 2000-08-22 | — | — | US | disclosed |
| CN-1230184-A | Arylamino fused pyridines and pyrimidines | DU PONT MERCK PHARMA (US) | 1999-09-29 | — | — | CN | disclosed |
| EP-0935601-A2 | ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES | Du Pont Pharmaceuticals Company (US) | 1999-08-18 | — | — | EP | disclosed |
| WO-1997035539-A2 | ARYLAMINO FUSED PYRIDINES AND PYRIMIDINES | DU PONT PHARMACEUTICALS COMPANY (US) | 1997-10-02 | — | — | WO | disclosed |