⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28461938 | 0.81 | — | — | |
| SCHEMBL28464064 | 0.79 | — | — | |
| SCHEMBL28900467 | 0.79 | — | — | |
| SCHEMBL28463790 | 0.75 | — | — | |
| SCHEMBL28468906 | 0.71 | — | — | |
| SCHEMBL3384730 | 0.70 | KMT2A (0.30) | — | |
| SCHEMBL25248293 | 0.67 | — | — | |
| SCHEMBL23959177 | 0.65 | NOTUM (0.31) | — | |
| SCHEMBL29985562 | 0.65 | THRA (0.31) | — | |
| SCHEMBL23664365 | 0.64 | SMN1; SMN2 (0.40) | — |
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-112794846-B | Ethyl isoxazoline derivative and application thereof | 宁夏苏融达化工有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-112794846-A | Ethyl isoxazoline derivative and application thereof | 东莞市东阳光农药研发有限公司 | 2021-05-14 | — | — | CN | disclosed |
| CN-110511216-B | Isoxazoline derivatives and their use in agriculture | 东莞市东阳光农药研发有限公司 | 2020-09-11 | — | — | CN | disclosed |