⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL249604 | 0.97 | — | — | |
| SCHEMBL249356 | 0.90 | — | — | |
| SCHEMBL607241 | 0.78 | — | — | |
| SCHEMBL6506199 | 0.78 | L3MBTL1 (0.33) | — | |
| SCHEMBL6506570 | 0.76 | L3MBTL1 (0.36) | — | |
| SCHEMBL689547 | 0.75 | — | — | |
| SCHEMBL2099498 | 0.75 | CYP1A2 (0.34) | — | |
| SCHEMBL1168662 | 0.73 | LTA4H (0.35) | — | |
| SCHEMBL2106033 | 0.72 | LTA4H (0.38) | — | |
| SCHEMBL2099984 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |