⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20603719 | 0.86 | — | — | |
| SCHEMBL1034442 | 0.76 | — | — | |
| SCHEMBL13183862 | 0.74 | CYP1A2 (0.37) | — | |
| SCHEMBL12607360 | 0.74 | SIGMAR1 (0.34) | — | |
| SCHEMBL6114561 | 0.72 | — | — | |
| SCHEMBL855253 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL1784544 | 0.72 | SIGMAR1 (0.33) | — | |
| SCHEMBL16963862 | 0.70 | — | — | |
| SCHEMBL16933710 | 0.70 | CYP1A2 (0.39) | — | |
| SCHEMBL4262674 | 0.69 | — | — |
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-0619819-A1 | 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. | SEARLE & CO (US) | 1994-10-19 | — | — | EP | claimed |
| WO-1992018092-A2 | 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS | G.D. SEARLE & CO. (US) | 1992-10-29 | — | — | WO | claimed |
| EP-0619819-A1 | 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. | SEARLE & CO (US) | 1994-10-19 | — | — | EP | disclosed |
| WO-1992016523-A1 | 5-ARYLHETEROARYLALKYL-1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS | G.D. SEARLE & CO. (US) | 1992-10-01 | — | — | WO | disclosed |