⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16956111 | 0.88 | GABRA1 (0.33) | — | |
| SCHEMBL16959781 | 0.80 | GABRA1 (0.34) | — | |
| SCHEMBL16950588 | 0.80 | GABRA1 (0.34) | — | |
| SCHEMBL16950892 | 0.80 | CES2 (0.34) | — | |
| SCHEMBL16955160 | 0.78 | TPMT (0.34) | — | |
| SCHEMBL16961351 | 0.77 | PDE4A (0.33) | — | |
| SCHEMBL16959575 | 0.77 | RARA (0.33) | — | |
| SCHEMBL16954267 | 0.77 | — | — | |
| SCHEMBL16952330 | 0.76 | FFAR4 (0.32) | — | |
| SCHEMBL16951775 | 0.76 | GABRA1 (0.31) | — |
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 |