⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5201554 | 0.91 | PTGS2 (0.42) | — | |
| SCHEMBL5865384 | 0.87 | — | — | |
| SCHEMBL28753554 | 0.87 | — | — | |
| SCHEMBL5273552 | 0.86 | PTGS2 (0.48) | — | |
| SCHEMBL5321873 | 0.82 | — | — | |
| SCHEMBL27630311 | 0.81 | — | — | |
| SCHEMBL5865294 | 0.79 | PTGS2 (0.43) | — | |
| SCHEMBL5205434 | 0.79 | PTGS2 (0.54) | — | |
| SCHEMBL5271166 | 0.78 | — | — | |
| SCHEMBL27611197 | 0.78 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1539718-A4 | 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | CJ CORP (KR) | 2007-08-01 | — | — | EP | claimed |
| CN-1688554-A | 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same | CJ CORP (KR) | 2005-10-26 | — | — | CN | claimed |
| EP-1539718-A1 | 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | CJ Corporation (KR) | 2005-06-15 | — | — | EP | claimed |
| WO-2004014878-A1 | 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | CJ CORPORATION (KR) | 2004-02-19 | — | — | WO | claimed |
| CN-101012203-B | 1,2,4-triazol derivatives, method for preparing the same | CJ CORP | 2011-02-16 | — | — | CN | disclosed |
| CN-100357277-C | 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same | CJ CORP (KR) | 2007-12-26 | — | — | CN | disclosed |
| CN-101012203-A | 1,2,4-triazol derivatives, method for preparing the same | CJ CORP (KR) | 2007-08-08 | — | — | CN | disclosed |
| US-7019144-B2 | 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same | CJ CORP. (KR) | 2006-03-28 | — | — | US | disclosed |
| CN-1688554-A | 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same | CJ CORP (KR) | 2005-10-26 | — | — | CN | disclosed |
| US-20050075507-A1 | 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same | CJ CHEILJEDANG CORPORATION (KR) | 2005-04-07 | — | — | US | disclosed |