⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28722217 | 0.79 | — | — | |
| SCHEMBL3158833 | 0.76 | MAOB (0.40) | — | |
| SCHEMBL5296529 | 0.74 | PSEN1 (0.47) | — | |
| SCHEMBL28727941 | 0.74 | — | — | |
| SCHEMBL28728084 | 0.74 | — | — | |
| SCHEMBL14364489 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL28729395 | 0.73 | — | — | |
| SCHEMBL1412518 | 0.73 | — | — | |
| SCHEMBL14983762 | 0.72 | SOD1 (0.36) | — | |
| SCHEMBL19821763 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011033251-A1 | HERBICIDAL ISOXAZOLINE DERIVATIVES | SYNGENTA LIMITED (GB) | 2011-03-24 | — | — | WO | disclosed |
| WO-2011033251-A1 | HERBICIDAL ISOXAZOLINE DERIVATIVES | SYNGENTA LIMITED (GB) | 2011-03-24 | — | — | WO | disclosed |