⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28471989 | 0.82 | — | — | |
| SCHEMBL28467322 | 0.76 | — | — | |
| SCHEMBL28456720 | 0.74 | — | — | |
| SCHEMBL28445044 | 0.72 | — | — | |
| SCHEMBL938313 | 0.71 | — | — | |
| SCHEMBL28473008 | 0.70 | — | — | |
| SCHEMBL30483717 | 0.68 | RIPK2 (0.33) | — | |
| SCHEMBL3381082 | 0.66 | — | — | |
| SCHEMBL29110096 | 0.65 | — | — | |
| SCHEMBL29110094 | 0.65 | — | — |
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-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 |
| CN-110511216-A | Isoxazoline derivative and its application in agricultural | DONGGUAN DONGYANGGUANG PESTICIDE RES AND DEVELOPMENT CO LTD | 2019-11-29 | — | — | CN | disclosed |