⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28417941 | 0.93 | — | — | |
| SCHEMBL22911574 | 0.90 | — | — | |
| SCHEMBL28410147 | 0.88 | — | — | |
| SCHEMBL22911718 | 0.87 | — | — | |
| SCHEMBL22911708 | 0.86 | — | — | |
| SCHEMBL22911576 | 0.86 | — | — | |
| SCHEMBL22911569 | 0.86 | — | — | |
| SCHEMBL22911706 | 0.86 | CA12 (0.32) | — | |
| SCHEMBL22911607 | 0.86 | — | — | |
| SCHEMBL28509194 | 0.86 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112225707-B | Isoxazoline derivatives and their use in agriculture | 宁夏苏融达化工有限公司 | 2023-01-17 | — | — | CN | disclosed |
| WO-2021008485-A1 | ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE | Dongguan HEC Pesticides R&D Co., Ltd. (CN) | 2021-01-21 | — | — | WO | disclosed |
| CN-112225707-A | Isoxazoline derivatives and their use in agriculture | 东莞市东阳光农药研发有限公司 | 2021-01-15 | — | — | CN | disclosed |