⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2363593 | 0.62 | CA1 (0.33) | — | |
| SCHEMBL10711617 | 0.59 | — | — | |
| SCHEMBL155596 | 0.55 | — | — | |
| SCHEMBL9743006 | 0.55 | — | — | |
| SCHEMBL5319610 | 0.55 | CYP19A1 (0.46) | — | |
| SCHEMBL4356623 | 0.54 | — | — | |
| SCHEMBL1078676 | 0.52 | — | — | |
| SCHEMBL24799688 | 0.51 | — | — | |
| SCHEMBL9245484 | 0.51 | — | — | |
| SCHEMBL9550909 | 0.51 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8003804-B2 | Synthesis of 4-[1-(4-cyano phenyl)-(1,2,4-triazol-1-yl)methyl] benzonitrile and 4-[1-(1H-1,2,4-triazol-1-yl)methylene benzonitrile intermediate | CIPLA LIMITED (IN) | 2011-08-23 | — | — | US | claimed |
| US-20090270633-A1 | Synthesis of 4-[1-(4-cyano phenyl)-(1,2,4-triazol-1-yl)methyl] benzonitrile and 4-[1-(1H-1,2,4-triazol-1-yl)methylene benzonitrile intermediate | CIPLA LIMITED (IN) | 2009-10-29 | — | — | US | claimed |
| US-7459565-B2 | Regiospecific process for the preparation of 4-[1- (4-cyanophenyl)-1-(1,2,4-triazol-1-yl)methyl] benzonitrile | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2008-12-02 | — | — | US | claimed |
| WO-2007107733-A1 | SYNTHESIS OF 4-[1-(4-CYANO PHENYL)-(1,2,4-TR1AZOL-1-YL)METHYL] BENZONITRILE AND 4-[1-(1H-1,2,4-TRIAZOL-1-YL)METHYLENE BENZONITRILE INTERMEDIATE | CIPLA LIMITED (IN) | 2007-09-27 | — | — | WO | claimed |
| US-20060128775-A1 | Regiospecific process for the preparation of 4-[1- (4-cyanophenyl)-1-(1,2,4-triazol-1-yl) methyl] benzonitrile | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2006-06-15 | — | — | US | claimed |
| EP-1594850-A2 | REGIOSPECIFIC PROCESS FOR THE PREPARATION OF 4- 1- (4-CYANOPHENYL)-1-(1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE | Sun Pharmaceuticals Industries Ltd. (IN) | 2005-11-16 | — | — | EP | claimed |
| WO-2004076409-A2 | REGIOSPECIFIC PROCESS FOR THE PREPARATION OF 4-[1- (4-CYANOPHENYL)-1-(1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2004-09-10 | — | — | WO | claimed |
| US-8003804-B2 | Synthesis of 4-[1-(4-cyano phenyl)-(1,2,4-triazol-1-yl)methyl] benzonitrile and 4-[1-(1H-1,2,4-triazol-1-yl)methylene benzonitrile intermediate | CIPLA LIMITED (IN) | 2011-08-23 | — | — | US | disclosed |
| US-8003804-B2 | Synthesis of 4-[1-(4-cyano phenyl)-(1,2,4-triazol-1-yl)methyl] benzonitrile and 4-[1-(1H-1,2,4-triazol-1-yl)methylene benzonitrile intermediate | CIPLA LIMITED (IN) | 2011-08-23 | — | — | US | disclosed |
| US-8003804-B2 | Synthesis of 4-[1-(4-cyano phenyl)-(1,2,4-triazol-1-yl)methyl] benzonitrile and 4-[1-(1H-1,2,4-triazol-1-yl)methylene benzonitrile intermediate | CIPLA LIMITED (IN) | 2011-08-23 | — | — | US | disclosed |
| US-20090270633-A1 | Synthesis of 4-[1-(4-cyano phenyl)-(1,2,4-triazol-1-yl)methyl] benzonitrile and 4-[1-(1H-1,2,4-triazol-1-yl)methylene benzonitrile intermediate | CIPLA LIMITED (IN) | 2009-10-29 | — | — | US | disclosed |
| US-20090270633-A1 | Synthesis of 4-[1-(4-cyano phenyl)-(1,2,4-triazol-1-yl)methyl] benzonitrile and 4-[1-(1H-1,2,4-triazol-1-yl)methylene benzonitrile intermediate | CIPLA LIMITED (IN) | 2009-10-29 | — | — | US | disclosed |
| US-20090270633-A1 | Synthesis of 4-[1-(4-cyano phenyl)-(1,2,4-triazol-1-yl)methyl] benzonitrile and 4-[1-(1H-1,2,4-triazol-1-yl)methylene benzonitrile intermediate | CIPLA LIMITED (IN) | 2009-10-29 | — | — | US | disclosed |
| US-7459565-B2 | Regiospecific process for the preparation of 4-[1- (4-cyanophenyl)-1-(1,2,4-triazol-1-yl)methyl] benzonitrile | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2008-12-02 | — | — | US | disclosed |
| WO-2007107733-A1 | SYNTHESIS OF 4-[1-(4-CYANO PHENYL)-(1,2,4-TR1AZOL-1-YL)METHYL] BENZONITRILE AND 4-[1-(1H-1,2,4-TRIAZOL-1-YL)METHYLENE BENZONITRILE INTERMEDIATE | CIPLA LIMITED (IN) | 2007-09-27 | — | — | WO | disclosed |
| WO-2007107733-A1 | SYNTHESIS OF 4-[1-(4-CYANO PHENYL)-(1,2,4-TR1AZOL-1-YL)METHYL] BENZONITRILE AND 4-[1-(1H-1,2,4-TRIAZOL-1-YL)METHYLENE BENZONITRILE INTERMEDIATE | CIPLA LIMITED (IN) | 2007-09-27 | — | — | WO | disclosed |
| WO-2007107733-A1 | SYNTHESIS OF 4-[1-(4-CYANO PHENYL)-(1,2,4-TR1AZOL-1-YL)METHYL] BENZONITRILE AND 4-[1-(1H-1,2,4-TRIAZOL-1-YL)METHYLENE BENZONITRILE INTERMEDIATE | CIPLA LIMITED (IN) | 2007-09-27 | — | — | WO | disclosed |
| US-20060128775-A1 | Regiospecific process for the preparation of 4-[1- (4-cyanophenyl)-1-(1,2,4-triazol-1-yl) methyl] benzonitrile | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2006-06-15 | — | — | US | disclosed |
| EP-1594850-A2 | REGIOSPECIFIC PROCESS FOR THE PREPARATION OF 4- 1- (4-CYANOPHENYL)-1-(1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE | Sun Pharmaceuticals Industries Ltd. (IN) | 2005-11-16 | — | — | EP | disclosed |
| WO-2004076409-A2 | REGIOSPECIFIC PROCESS FOR THE PREPARATION OF 4-[1- (4-CYANOPHENYL)-1-(1,2,4-TRIAZOL-1-YL)METHYL]BENZONITRILE | SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) | 2004-09-10 | — | — | WO | disclosed |