⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31712918 | 1.00 | — | — | |
| SCHEMBL30978396 | 0.83 | — | — | |
| SCHEMBL29655399 | 0.71 | — | — | |
| SCHEMBL1303005 | 0.71 | — | — | |
| SCHEMBL30129657 | 0.71 | — | — | |
| SCHEMBL2884849 | 0.71 | — | — | |
| SCHEMBL1749731 | 0.70 | — | — | |
| SCHEMBL30481014 | 0.70 | — | — | |
| SCHEMBL115708 | 0.69 | CYP1A2 (0.31) | — | |
| SCHEMBL674111 | 0.69 | CYP11B1 (0.38) | — |
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-0263071-B1 | 2-Substituted-e-fused-[1,2,4]-triazolo[1,5-c] pyrimidines, pharmaceutical compositions, and uses thereof | CIBA-GEIGY AG (CH) | 1992-08-12 | — | — | EP | disclosed |
| US-4831013-A | BENZODIAZEPINE RECEPTOR ANTAGONISTS | CIBA-GEIGY CORPORATION (US) | 1989-05-16 | — | — | US | disclosed |
| WO-1988002370-A1 | 2-SUBSTITUTED-E-FUSED-[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINES PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | CIBA-GEIGY AG (CH) | 1988-04-07 | — | — | WO | disclosed |
| EP-0263071-A1 | 2-Substituted-e-fused-[1,2,4]-triazolo[1,5-c] pyrimidines, pharmaceutical compositions, and uses thereof | CIBA-GEIGY AG (CH) | 1988-04-06 | — | — | EP | disclosed |