⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL622920 | 0.79 | DDB1 (0.34) | — | |
| SCHEMBL900817 | 0.79 | EPHX2 (0.32) | — | |
| SCHEMBL592798 | 0.78 | GRIA1 (0.31) | — | |
| SCHEMBL458982 | 0.78 | — | — | |
| SCHEMBL1083552 | 0.78 | SCN8A (0.31) | — | |
| SCHEMBL1068440 | 0.78 | HSD11B1 (0.33) | — | |
| SCHEMBL16953264 | 0.78 | MEN1 (0.35) | — | |
| SCHEMBL3540081 | 0.75 | METAP2 (0.37) | — | |
| SCHEMBL17046259 | 0.75 | CA2 (0.33) | — | |
| SCHEMBL1068397 | 0.75 | — | — |
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 |