⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24044914 | 0.82 | POLB (0.38) | — | |
| SCHEMBL21307727 | 0.81 | THRB (0.34) | — | |
| SCHEMBL19888434 | 0.79 | MEN1 (0.37) | — | |
| SCHEMBL23956637 | 0.77 | POLB (0.33) | — | |
| SCHEMBL23956588 | 0.76 | OPRM1 (0.31) | — | |
| SCHEMBL20386796 | 0.75 | PSMB5 (0.30) | — | |
| SCHEMBL24702077 | 0.75 | MCHR1 (0.30) | — | |
| SCHEMBL23956582 | 0.75 | LMNA (0.30) | — | |
| SCHEMBL24361080 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL21307695 | 0.74 | THRB (0.34) | — |
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-3755700-B1 | CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES | BAYER AG (DE) | 2021-11-24 | — | — | EP | disclosed |