⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6324848 | 0.80 | — | — | |
| SCHEMBL13038050 | 0.72 | THRB (0.30) | — | |
| SCHEMBL14283617 | 0.70 | — | — | |
| SCHEMBL13398579 | 0.70 | — | — | |
| SCHEMBL13381111 | 0.70 | — | — | |
| SCHEMBL1937749 | 0.68 | — | — | |
| SCHEMBL11512895 | 0.68 | — | — | |
| SCHEMBL6992684 | 0.68 | — | — | |
| SCHEMBL5330989 | 0.68 | — | — | |
| SCHEMBL2872751 | 0.67 | — | — |
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-110003165-A | A kind of synthetic method of chloro -2,2- two (perfluorinated substituents) -1,3- dioxolane class compound | 浙江省化工研究院有限公司 | 2019-07-12 | — | — | CN | disclosed |