⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6005793 | 0.93 | AGTR1 (0.32) | — | |
| SCHEMBL6004161 | 0.93 | LMNA (0.31) | — | |
| SCHEMBL6004810 | 0.91 | AGTR1 (0.35) | — | |
| SCHEMBL6004903 | 0.91 | AGTR1 (0.31) | — | |
| SCHEMBL6005795 | 0.91 | AGTR1 (0.34) | — | |
| SCHEMBL6005564 | 0.90 | — | — | |
| SCHEMBL6008069 | 0.90 | AGTR1 (0.34) | — | |
| SCHEMBL6004494 | 0.89 | LMNA (0.30) | — | |
| SCHEMBL6006813 | 0.88 | BRS3 (0.33) | — | |
| SCHEMBL9528986 | 0.87 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7132437-B2 | for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure | G.D. SEARLE (US) | 2006-11-07 | — | — | US | disclosed |
| US-20040220245-A1 | for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure | G.D. SEARLE & CO., | 2004-11-04 | — | — | US | disclosed |
| US-20040121989-A1 | such as methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure | G.D. SEARLE & CO. | 2004-06-24 | — | — | US | disclosed |
| US-5217985-A | RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION | G. D. SEARLE & CO. (US) | 1993-06-08 | — | — | US | disclosed |
| WO-1992004335-A2 | RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION | G.D. SEARLE & CO. (US) | 1992-03-19 | — | — | WO | disclosed |