⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11213334 | 0.68 | — | — | |
| SCHEMBL5275226 | 0.68 | — | — | |
| SCHEMBL5282062 | 0.64 | — | — | |
| SCHEMBL5274288 | 0.61 | — | — | |
| SCHEMBL5280422 | 0.60 | PDE2A (0.33) | — | |
| SCHEMBL18800503 | 0.58 | — | — | |
| SCHEMBL13767781 | 0.58 | — | — | |
| SCHEMBL16076224 | 0.53 | — | — | |
| SCHEMBL16675477 | 0.51 | — | — | |
| SCHEMBL19465847 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019233862-A1 | HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINES | BAYER AKTIENGESELLSCHAFT (DE) | 2019-12-12 | — | — | WO | disclosed |