⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3747432 | 0.85 | — | — | |
| SCHEMBL2653451 | 0.71 | — | — | |
| SCHEMBL6707050 | 0.70 | IDH1 (0.33) | — | |
| SCHEMBL2254115 | 0.68 | NR2E1 (0.53) | — | |
| SCHEMBL5924431 | 0.65 | NR2E1 (0.31) | — | |
| SCHEMBL5924427 | 0.65 | NR2E1 (0.31) | — | |
| SCHEMBL960744 | 0.65 | NR2E1 (0.33) | — | |
| SCHEMBL3387686 | 0.65 | KDM4E (0.36) | — | |
| SCHEMBL28721610 | 0.64 | — | — | |
| SCHEMBL6473572 | 0.64 | IDO1 (0.30) | — |
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-20060270628-A1 | Antiinfective 1,2,3-triazole derivatives, process for their preparation and pharmaceutical compositions containing them | DR. REDDY'S LABORATORIES, INC. | 2006-11-30 | — | — | US | disclosed |
| WO-2004101531-A1 | ANTIINFECTIVE 1,2,3-TRIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2004-11-25 | — | — | WO | disclosed |