⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1253443 | 0.73 | CA2 (0.33) | — | |
| SCHEMBL9321696 | 0.67 | CHRM2 (0.36) | — | |
| SCHEMBL2804056 | 0.67 | — | — | |
| SCHEMBL27096235 | 0.67 | CA2 (0.33) | — | |
| SCHEMBL4421272 | 0.65 | CA2 (0.32) | — | |
| SCHEMBL8669575 | 0.65 | — | — | |
| SCHEMBL22183107 | 0.65 | CA2 (0.32) | — | |
| SCHEMBL22183109 | 0.65 | CA2 (0.32) | — | |
| SCHEMBL28877293 | 0.65 | — | — | |
| SCHEMBL9116954 | 0.65 | CA2 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108026090-B | Isoxazoline substituted benzamides and analogs as pesticides | 先正达参股股份有限公司 | 2021-10-26 | — | — | CN | disclosed |
| CN-109561682-B | Pyridines comprising an isoxazoline ring and their use as herbicides | 牧牛研究所株式会社 | 2021-05-11 | — | — | CN | disclosed |