⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29720572 | 0.86 | ACVR1 (0.31) | — | |
| SCHEMBL28359602 | 0.86 | ACVR1 (0.31) | — | |
| SCHEMBL21930788 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL18498642 | 0.80 | CYP11B1 (0.35) | — | |
| SCHEMBL29720376 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL23398107 | 0.80 | — | — | |
| SCHEMBL24067289 | 0.78 | — | — | |
| SCHEMBL18498705 | 0.78 | POLB (0.33) | — | |
| SCHEMBL17941382 | 0.77 | PDE2A (0.32) | — | |
| SCHEMBL25209584 | 0.76 | POLB (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3619212-B1 | 2- (HET) ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES | BAYER AG (DE) | 2021-05-26 | — | — | EP | disclosed |