⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6894983 | 0.83 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL6775364 | 0.76 | ALOX15 (0.35) | — | |
| SCHEMBL7827120 | 0.73 | TLR7 (0.35) | — | |
| SCHEMBL6774956 | 0.71 | CRHR1 (0.39) | — | |
| SCHEMBL6774429 | 0.70 | CRHR1 (0.50) | — | |
| SCHEMBL7820028 | 0.70 | CRHR1 (0.34) | — | |
| SCHEMBL7823112 | 0.70 | CRHR1 (0.36) | — | |
| SCHEMBL6780509 | 0.70 | MEN1 (0.39) | — | |
| SCHEMBL6781376 | 0.70 | MEN1 (0.39) | — | |
| SCHEMBL6775008 | 0.69 | CRHR1 (0.47) | — |
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-20030191125-A1 | Aryloxy- and arylthiosubstituted pyrimidines and triazines and derivatives thereof | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-10-09 | — | — | US | claimed |
| US-20020040026-A1 | Aryloxy-and arylthiosubstituted pyrimidines and triazines and derivatives thereof | DUPONT PHARMACEUTICALS COMPANY | 2002-04-04 | — | — | US | claimed |
| US-6326368-B1 | PSYCHOLOGICAL DISORDERS | DUPONT PHARMACEUTICALS COMPANY | 2001-12-04 | — | — | US | claimed |
| US-6818648-B2 | PSYCHOLOGICAL DISORDERS; ANXIOLYTIC AGENTS; ANTIDEPRESSANTS; EATING DISORDERS; ALCOHOLISM; DRUG ABUSE; ANTIINFLAMMATORY AGENTS | BRISTOL-MYERS SQUIBB PHARMA | 2004-11-16 | — | — | US | disclosed |
| US-20030191125-A1 | Aryloxy- and arylthiosubstituted pyrimidines and triazines and derivatives thereof | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2003-10-09 | — | — | US | disclosed |
| US-20020040026-A1 | Aryloxy-and arylthiosubstituted pyrimidines and triazines and derivatives thereof | DUPONT PHARMACEUTICALS COMPANY | 2002-04-04 | — | — | US | disclosed |
| US-6326368-B1 | PSYCHOLOGICAL DISORDERS | DUPONT PHARMACEUTICALS COMPANY | 2001-12-04 | — | — | US | disclosed |
| EP-0920318-A4 | ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF | DU PONT PHARM CO (US) | 2000-03-15 | — | — | EP | disclosed |
| EP-0920318-A1 | ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF | Du Pont Pharmaceuticals Company (US) | 1999-06-09 | — | — | EP | disclosed |
| WO-1997035580-A1 | ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF | DU PONT PHARMACEUTICALS COMPANY (US) | 1997-10-02 | — | — | WO | disclosed |