⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28037590 | 0.82 | — | — | |
| SCHEMBL378568 | 0.82 | — | — | |
| SCHEMBL1098027 | 0.82 | — | — | |
| SCHEMBL11772821 | 0.82 | — | — | |
| Water SCHEMBL23364121 | 0.67 | — | — | |
| SCHEMBL11175186 | 0.67 | — | — | |
| SCHEMBL8621004 | 0.67 | — | — | |
| Fluoride SCHEMBL22981605 | 0.67 | — | — | |
| SCHEMBL10738102 | 0.67 | — | — | |
| SCHEMBL19244159 | 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-107626291-A | A kind of application of loaded catalyst in fluoroform cracking | 中国科学院上海有机化学研究所 | 2018-01-26 | — | — | CN | disclosed |