⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24701865 | 0.87 | — | — | |
| SCHEMBL19888434 | 0.85 | MEN1 (0.37) | — | |
| SCHEMBL19888465 | 0.82 | — | — | |
| SCHEMBL19888468 | 0.82 | RORC (0.32) | — | |
| SCHEMBL19888450 | 0.81 | MCHR1 (0.30) | — | |
| SCHEMBL24702083 | 0.80 | — | — | |
| SCHEMBL24701862 | 0.80 | — | — | |
| SCHEMBL19888425 | 0.79 | — | — | |
| SCHEMBL24702077 | 0.79 | MCHR1 (0.30) | — | |
| SCHEMBL19888448 | 0.79 | — | — |
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-3497102-B1 | CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2022-12-07 | — | — | EP | disclosed |