⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16956537 | 0.81 | PGR (0.33) | — | |
| SCHEMBL5839939 | 0.80 | KIF11 (0.33) | — | |
| SCHEMBL31179930 | 0.80 | KIF11 (0.33) | — | |
| SCHEMBL16957392 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL16959225 | 0.78 | — | — | |
| SCHEMBL16954538 | 0.78 | EPAS1 (0.31) | — | |
| SCHEMBL16959830 | 0.78 | — | — | |
| SCHEMBL16961142 | 0.78 | GABRA1 (0.30) | — | |
| SCHEMBL16958468 | 0.75 | — | — | |
| SCHEMBL16958266 | 0.74 | NQO1 (0.41) | — |
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-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |