⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8103259 | 1.00 | — | — | |
| SCHEMBL8105201 | 0.92 | — | — | |
| SCHEMBL8105198 | 0.92 | — | — | |
| SCHEMBL8109311 | 0.89 | NR1H2 (0.30) | — | |
| SCHEMBL8109314 | 0.89 | NR1H2 (0.30) | — | |
| SCHEMBL8095736 | 0.88 | AGTR1 (0.35) | — | |
| SCHEMBL8095730 | 0.88 | AGTR1 (0.35) | — | |
| SCHEMBL8105561 | 0.85 | AGTR1 (0.35) | — | |
| SCHEMBL8096105 | 0.84 | AGTR1 (0.35) | — | |
| SCHEMBL8096109 | 0.84 | AGTR1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3098772-B2 | — | — | 2000-10-16 | — | — | JP | claimed |
| EP-0527851-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1993-02-24 | — | — | EP | claimed |
| WO-1991017148-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1991-11-14 | — | — | WO | claimed |