⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7086983 | 0.60 | — | — | |
| SCHEMBL23913161 | 0.54 | — | — | |
| SCHEMBL14693137 | 0.45 | — | — | |
| SCHEMBL26639103 | 0.42 | — | — | |
| SCHEMBL11689084 | 0.41 | — | — | |
| SCHEMBL2400889 | 0.36 | — | — | |
| SCHEMBL2639419 | 0.36 | — | — | |
| Cyclohexane SCHEMBL7113927 | 0.35 | — | — | |
| Benzene SCHEMBL2381217 | 0.34 | — | — | |
| Cyclopropane SCHEMBL27700821 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2019233862-A1 | HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINES | BAYER AKTIENGESELLSCHAFT (DE) | 2019-12-12 | — | — | WO | disclosed |