⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16961489 | 0.81 | TRPA1 (0.33) | — | |
| SCHEMBL16957153 | 0.79 | NPC1 (0.33) | — | |
| SCHEMBL16953502 | 0.79 | — | — | |
| SCHEMBL16950424 | 0.78 | ALKBH3 (0.35) | — | |
| SCHEMBL16952559 | 0.78 | — | — | |
| SCHEMBL16951521 | 0.78 | — | — | |
| SCHEMBL16953554 | 0.78 | CYP1A2 (0.33) | — | |
| SCHEMBL16960094 | 0.77 | ADRA2A (0.38) | — | |
| SCHEMBL16952366 | 0.76 | MAPT (0.33) | — | |
| SCHEMBL16956312 | 0.76 | TRPA1 (0.38) | — |
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 |