⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19920856 | 0.85 | HCAR2 (0.36) | — | |
| SCHEMBL19920857 | 0.76 | HCAR2 (0.46) | — | |
| SCHEMBL28401118 | 0.76 | — | — | |
| SCHEMBL27829178 | 0.71 | — | — | |
| SCHEMBL4737389 | 0.70 | — | — | |
| Magnesium SCHEMBL30165779 | 0.68 | — | — | |
| SCHEMBL25405178 | 0.68 | HCAR2 (0.40) | — | |
| SCHEMBL1071656 | 0.68 | HCAR2 (0.40) | — | |
| SCHEMBL16505 | 0.68 | HCAR2 (0.40) | — | |
| SCHEMBL25405174 | 0.68 | HCAR2 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107105653-A | FUNGICIDAL COMPOSITIONS | 美国陶氏益农公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-107105654-A | Fungicidal composition | 美国陶氏益农公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-107105652-A | Fungicidal compositions | 美国陶氏益农公司 | 2017-08-29 | — | — | CN | disclosed |
| 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 |