⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19888443 | 0.83 | NR1H2 (0.32) | — | |
| SCHEMBL24702083 | 0.83 | — | — | |
| SCHEMBL20386959 | 0.82 | MCHR1 (0.33) | — | |
| SCHEMBL19876667 | 0.82 | MEN1 (0.38) | — | |
| SCHEMBL29683266 | 0.82 | MEN1 (0.38) | — | |
| SCHEMBL20386941 | 0.82 | TLR7 (0.36) | — | |
| SCHEMBL19888467 | 0.80 | LMNA (0.30) | — | |
| SCHEMBL23018091 | 0.80 | CYP11B1 (0.33) | — | |
| SCHEMBL19888465 | 0.80 | — | — | |
| SCHEMBL23018095 | 0.79 | MCHR1 (0.31) | — |
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 2 patents. 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 |
| WO-2018033455-A1 | CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-02-22 | — | — | WO | disclosed |