⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1323944 | 0.74 | — | — | |
| SCHEMBL1149114 | 0.68 | — | — | |
| SCHEMBL31267092 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL30026472 | 0.64 | — | — | |
| SCHEMBL1149022 | 0.64 | — | — | |
| SCHEMBL29656060 | 0.60 | — | — | |
| SCHEMBL30898755 | 0.60 | — | — | |
| SCHEMBL29307258 | 0.60 | — | — | |
| SCHEMBL9077347 | 0.60 | MEN1 (0.35) | — | |
| SCHEMBL4145490 | 0.58 | — | — |
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-117836301-A | 2, 2-difluoro-5H- [1,3] dioxolo [4,5-F ] isoindol-7-one derivatives as pesticides | 先正达农作物保护股份公司 | 2024-04-05 | — | — | CN | disclosed |