⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4667815 | 0.82 | — | — | |
| SCHEMBL58401 | 0.78 | GABRA1 (0.33) | — | |
| SCHEMBL27573963 | 0.77 | — | — | |
| SCHEMBL27460611 | 0.76 | GABRA1 (0.32) | — | |
| SCHEMBL458360 | 0.76 | — | — | |
| SCHEMBL455192 | 0.74 | — | — | |
| SCHEMBL7361720 | 0.73 | — | — | |
| SCHEMBL930329 | 0.73 | — | — | |
| SCHEMBL458616 | 0.73 | — | — | |
| SCHEMBL442844 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2900645-B1 | HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2019-08-21 | — | — | EP | disclosed |
| US-9585392-B2 | 3-phenylisoxazolin derivatives with herbicidal action | BAYER CROPSCIENCE AG (DE) | 2017-03-07 | — | — | US | disclosed |
| US-20150245615-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | BAYER CROPSCIENCE AG (DE) | 2015-09-03 | — | — | US | disclosed |
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |