⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14722218 | 0.67 | — | — | |
| SCHEMBL13488433 | 0.62 | — | — | |
| SCHEMBL2733548 | 0.61 | — | — | |
| SCHEMBL14721553 | 0.61 | — | — | |
| SCHEMBL5368830 | 0.61 | — | — | |
| SCHEMBL14725996 | 0.61 | — | — | |
| SCHEMBL14454196 | 0.59 | HTR2C (0.31) | — | |
| SCHEMBL22430911 | 0.59 | — | — | |
| SCHEMBL12219638 | 0.58 | — | — | |
| SCHEMBL11960217 | 0.56 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2748155-B1 | ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2017-12-20 | — | — | EP | disclosed |