⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2921728 | 0.91 | — | — | |
| SCHEMBL2912028 | 0.89 | CYP17A1 (0.31) | — | |
| SCHEMBL2920092 | 0.84 | — | — | |
| SCHEMBL2943200 | 0.84 | CNR2 (0.32) | — | |
| SCHEMBL2911610 | 0.82 | — | — | |
| SCHEMBL2918736 | 0.82 | — | — | |
| SCHEMBL2917377 | 0.82 | — | — | |
| SCHEMBL2916856 | 0.81 | — | — | |
| SCHEMBL2913112 | 0.81 | CYP17A1 (0.34) | — | |
| SCHEMBL2916645 | 0.81 | HCRTR1 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103664811-B | (1H-1,2,4-triazol-1-yl) aryl compound and preparation method thereof | IHARA CHEMICAL IND CO. (JP) | 2015-09-16 | — | — | CN | disclosed |
| CN-103664811-A | Aryl (1h-1,2,4-triazol-1-yl) compound, and process for production thereof | IHARA CHEMICAL IND CO | 2014-03-26 | — | — | CN | disclosed |
| US-8648207-B2 | Aryl (1H-1,2,4-triazol-1-yl) compound, and process for production thereof | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2014-02-11 | — | — | US | disclosed |
| US-8440838-B2 | Aryl (1H-1,2,4-triazol-1-yl) compound and process for production thereof | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2013-05-14 | — | — | US | disclosed |
| US-20130023666-A1 | ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2013-01-24 | — | — | US | disclosed |
| US-20100256386-A1 | ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND AND PROCESS FOR PRODUCTION THEREOF | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2010-10-07 | — | — | US | disclosed |
| EP-2226317-A1 | ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2010-09-08 | — | — | EP | disclosed |