⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27820531 | 0.80 | — | — | |
| SCHEMBL1471786 | 0.75 | — | — | |
| SCHEMBL13780146 | 0.69 | — | — | |
| SCHEMBL973094 | 0.67 | USP2 (0.39) | — | |
| SCHEMBL171773 | 0.65 | — | — | |
| SCHEMBL8960168 | 0.65 | — | — | |
| SCHEMBL251442 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL1154 | 0.64 | — | — | |
| SCHEMBL247430 | 0.63 | — | — | |
| SCHEMBL496774 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2443087-B1 | DISUBSTITUTED-AMINODIFLUOROSULFINIUM SALTS, PROCESS FOR PREPARING SAME AND METHOD OF USE AS DEOXOFLUORINATION REAGENTS | OMEGACHEM INC (CA) | 2016-06-08 | — | — | EP | disclosed |