⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16954022 | 0.84 | ALDH1A1 (0.41) | — | |
| SCHEMBL16959969 | 0.83 | LTA4H (0.40) | — | |
| SCHEMBL16959196 | 0.82 | MAPT (0.41) | — | |
| SCHEMBL16961350 | 0.81 | — | — | |
| SCHEMBL16959395 | 0.81 | CHRNB2 (0.30) | — | |
| SCHEMBL16955846 | 0.80 | NQO1 (0.41) | — | |
| SCHEMBL16953564 | 0.76 | MAPT (0.44) | — | |
| SCHEMBL16955697 | 0.76 | MAPT (0.36) | — | |
| SCHEMBL16956896 | 0.75 | TBXAS1 (0.38) | — | |
| SCHEMBL16955535 | 0.73 | ALDH1A1 (0.40) | — |
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 |