⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16955438 | 0.80 | AKR1C3 (0.34) | — | |
| SCHEMBL16961056 | 0.79 | AKR1C3 (0.34) | — | |
| SCHEMBL16961809 | 0.79 | NOTUM (0.36) | — | |
| SCHEMBL16959834 | 0.79 | IDO1 (0.40) | — | |
| SCHEMBL16953493 | 0.76 | AR (0.52) | — | |
| SCHEMBL16950953 | 0.76 | AKR1C3 (0.32) | — | |
| SCHEMBL20079426 | 0.76 | LMNA (0.36) | — | |
| SCHEMBL16955276 | 0.76 | — | — | |
| SCHEMBL16955241 | 0.75 | PDE2A (0.33) | — | |
| SCHEMBL16962143 | 0.75 | AKR1C3 (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-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |