⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27827258 | 0.74 | — | — | |
| SCHEMBL3871271 | 0.71 | — | — | |
| SCHEMBL51362 | 0.71 | — | — | |
| SCHEMBL13673966 | 0.71 | — | — | |
| SCHEMBL3794316 | 0.71 | — | — | |
| SCHEMBL524981 | 0.71 | — | — | |
| SCHEMBL3167408 | 0.71 | — | — | |
| SCHEMBL2680592 | 0.71 | — | — | |
| SCHEMBL16107770 | 0.69 | FDPS (0.38) | — | |
| SCHEMBL11152066 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105007737-A | 3-alkyl-5-fluoro-4-substituted-imino-3, 4-dihydropyrimidin-2 (1H) -one derivatives as fungicides | DOW AGROSCIENCES LLC | 2015-10-28 | — | — | CN | disclosed |