⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL454976 | 0.78 | — | — | |
| SCHEMBL15053179 | 0.76 | — | — | |
| SCHEMBL24923742 | 0.72 | — | — | |
| SCHEMBL10320223 | 0.63 | — | — | |
| SCHEMBL5409120 | 0.61 | — | — | |
| SCHEMBL12501955 | 0.59 | — | — | |
| SCHEMBL22986548 | 0.59 | GABRP (0.36) | — | |
| SCHEMBL14393530 | 0.59 | — | — | |
| SCHEMBL7632843 | 0.57 | — | — | |
| SCHEMBL20613442 | 0.57 | — | — |
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-109867655-A | The synthetic method of fluoro- 2,2- bis- (the perfluorinated substituents) -1,3- dioxole class compound of 4,5- bis- | 浙江省化工研究院有限公司 | 2019-06-11 | — | — | CN | disclosed |