⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29582260 | 0.82 | RORC (0.32) | — | |
| SCHEMBL20547449 | 0.82 | RORC (0.32) | — | |
| SCHEMBL24360759 | 0.81 | — | — | |
| SCHEMBL21376198 | 0.79 | — | — | |
| SCHEMBL24360760 | 0.79 | — | — | |
| SCHEMBL24361080 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL24361081 | 0.78 | — | — | |
| SCHEMBL24361078 | 0.77 | — | — | |
| SCHEMBL24361059 | 0.77 | — | — | |
| SCHEMBL24361073 | 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-3615540-B1 | CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES | BAYER AG (DE) | 2022-04-27 | — | — | EP | disclosed |