⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24360760 | 0.84 | — | — | |
| SCHEMBL29599177 | 0.83 | GRIN1 (0.30) | — | |
| SCHEMBL24361081 | 0.83 | — | — | |
| SCHEMBL20547457 | 0.83 | GRIN1 (0.30) | — | |
| SCHEMBL19299915 | 0.83 | — | — | |
| SCHEMBL21875179 | 0.81 | KCNH2 (0.33) | — | |
| SCHEMBL29600219 | 0.81 | KCNH2 (0.33) | — | |
| SCHEMBL24361308 | 0.81 | — | — | |
| SCHEMBL21376104 | 0.79 | — | — | |
| SCHEMBL18179701 | 0.79 | PTGS1 (0.32) | — |
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-3615540-B1 | CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES | BAYER AG (DE) | 2022-04-27 | — | — | EP | disclosed |