⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3239454 | 0.89 | MAPT (0.41) | — | |
| SCHEMBL22081744 | 0.83 | GSR (0.46) | — | |
| SCHEMBL22081044 | 0.79 | — | — | |
| SCHEMBL22081131 | 0.79 | — | — | |
| SCHEMBL23336211 | 0.78 | — | — | |
| SCHEMBL6582876 | 0.77 | — | — | |
| SCHEMBL29097176 | 0.75 | MAPT (0.35) | — | |
| SCHEMBL11412696 | 0.75 | MAPT (0.67) | — | |
| SCHEMBL11569345 | 0.75 | MAPT (0.67) | — | |
| SCHEMBL3949883 | 0.74 | NOS2 (0.31) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102264695-B | Haloalkyl containing compounds as cysteine protease inhibitors | VIROBAY INC | 2014-11-05 | — | — | CN | claimed |
| CN-102264695-A | Haloalkyl containing compounds as cysteine protease inhibitors | — | 2011-11-30 | — | — | CN | claimed |
| CN-101460462-B | Spirocyclic nitriles as protease inhibitors | SANOFI AVENTIS SPA | 2013-07-31 | — | — | CN | disclosed |
| CN-102648178-A | Quinazoline derivatives | MERCK PATENT GMBH | 2012-08-22 | — | — | CN | disclosed |
| CN-101460462-A | Spirocyclic nitriles as protease inhibitors | SANOFI AVENTIS (FR) | 2009-06-17 | — | — | CN | disclosed |
| 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 |
| EP-0527851-B1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | SEARLE & CO (US) | 1998-12-23 | — | — | EP | 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 |
| EP-0527851-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1993-02-24 | — | — | EP | disclosed |
| US-5098920-A | Hypotensive agents and treatment of congestive heart failure | G. D. SEARLE & CO. (US) | 1992-03-24 | — | — | 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 |
| WO-1991017148-A1 | 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS | G.D. SEARLE & CO. (US) | 1991-11-14 | — | — | WO | disclosed |