⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28575661 | 0.93 | — | — | |
| SCHEMBL28469276 | 0.89 | — | — | |
| SCHEMBL28469204 | 0.88 | — | — | |
| SCHEMBL28468904 | 0.84 | — | — | |
| SCHEMBL28915367 | 0.83 | — | — | |
| SCHEMBL28468323 | 0.80 | — | — | |
| SCHEMBL28473011 | 0.77 | — | — | |
| SCHEMBL28570754 | 0.77 | — | — | |
| SCHEMBL28462989 | 0.77 | — | — | |
| SCHEMBL969095 | 0.75 | — | — |
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-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 |