⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28552729 | 0.96 | — | — | |
| SCHEMBL20870589 | 0.85 | PTGS1 (0.34) | — | |
| SCHEMBL20870909 | 0.83 | — | — | |
| SCHEMBL20871646 | 0.81 | — | — | |
| SCHEMBL20871078 | 0.80 | — | — | |
| SCHEMBL28912012 | 0.79 | — | — | |
| SCHEMBL20870593 | 0.77 | PTGS1 (0.33) | — | |
| SCHEMBL20870594 | 0.75 | PTGS1 (0.34) | — | |
| SCHEMBL20871120 | 0.75 | CA12 (0.32) | — | |
| SCHEMBL20870910 | 0.71 | CA12 (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-109574945-B | Isoxazoline derivatives and their use in agriculture | 东莞市东阳光农药研发有限公司 | 2021-04-20 | — | — | CN | disclosed |
| WO-2019062802-A1 | ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE RELATED APPLICATION | DONGGUAN HEC TECH R & D CO., LTD. (CN) | 2019-04-04 | — | — | WO | disclosed |