⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4685089 | 0.81 | BACE1 (0.36) | — | |
| SCHEMBL4684815 | 0.80 | ESR1 (0.33) | — | |
| SCHEMBL4680030 | 0.74 | ESR1 (0.36) | — | |
| SCHEMBL4685077 | 0.73 | BACE1 (0.37) | — | |
| SCHEMBL4680026 | 0.71 | BACE1 (0.34) | — | |
| SCHEMBL4684817 | 0.67 | BACE1 (0.31) | — | |
| SCHEMBL14485977 | 0.64 | BACE1 (0.32) | — | |
| SCHEMBL2750402 | 0.63 | BACE1 (0.47) | — | |
| SCHEMBL16881448 | 0.61 | BACE1 (0.37) | — | |
| SCHEMBL9732940 | 0.61 | MAPT (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1362856-A1 | WATER-SOLUBLE TRIAZOLE FUNGICIDE | Sankyo Company, Limited (JP) | 2003-11-19 | — | — | EP | disclosed |