⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5865424 | 0.89 | — | — | |
| SCHEMBL27630111 | 0.89 | — | — | |
| SCHEMBL5271166 | 0.89 | — | — | |
| SCHEMBL27611197 | 0.89 | — | — | |
| SCHEMBL5203292 | 0.89 | PTGS2 (0.40) | — | |
| SCHEMBL5280363 | 0.88 | — | — | |
| SCHEMBL5321873 | 0.87 | — | — | |
| SCHEMBL6168958 | 0.87 | PTGS2 (0.51) | — | |
| SCHEMBL5201449 | 0.86 | PTGS2 (0.52) | — | |
| SCHEMBL6168713 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |