⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5865384 | 0.92 | — | — | |
| SCHEMBL27630311 | 0.92 | — | — | |
| SCHEMBL27611197 | 0.88 | — | — | |
| SCHEMBL5205217 | 0.87 | — | — | |
| SCHEMBL5321873 | 0.87 | — | — | |
| SCHEMBL27630111 | 0.86 | — | — | |
| SCHEMBL27611192 | 0.85 | PTGS2 (0.51) | — | |
| SCHEMBL5865294 | 0.83 | PTGS2 (0.43) | — | |
| SCHEMBL5865421 | 0.82 | PTGS2 (0.48) | — | |
| SCHEMBL5271166 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| 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 |