⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28458818 | 0.88 | — | — | |
| SCHEMBL28456931 | 0.88 | — | — | |
| SCHEMBL5390291 | 0.87 | — | — | |
| SCHEMBL28461544 | 0.83 | — | — | |
| SCHEMBL28899352 | 0.82 | — | — | |
| SCHEMBL28445033 | 0.82 | — | — | |
| SCHEMBL28458719 | 0.82 | — | — | |
| SCHEMBL5374626 | 0.81 | — | — | |
| SCHEMBL5393142 | 0.80 | — | — | |
| SCHEMBL3747037 | 0.78 | — | — |
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-111574509-B | Isoxazoline derivatives and their use in agriculture | 宁夏苏融达化工有限公司 | 2021-08-31 | — | — | CN | disclosed |
| CN-111574509-A | Isoxazoline derivatives and their use in agriculture | 东莞市东阳光农药研发有限公司 | 2020-08-25 | — | — | CN | disclosed |