⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22735780 | 1.00 | — | — | |
| SCHEMBL3064459 | 0.82 | — | — | |
| SCHEMBL4322486 | 0.82 | — | — | |
| SCHEMBL16648848 | 0.82 | — | — | |
| SCHEMBL25967168 | 0.80 | ACACB (0.36) | — | |
| SCHEMBL11642485 | 0.80 | — | — | |
| SCHEMBL25967009 | 0.78 | CYP2C9 (0.42) | — | |
| SCHEMBL13825682 | 0.77 | — | — | |
| SCHEMBL23894819 | 0.77 | CTSS (0.35) | — | |
| SCHEMBL21175182 | 0.77 | — | — |
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-4215530-A1 | ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS | FMC Corporation (US) | 2023-07-26 | — | — | EP | disclosed |