⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5159437 | 0.91 | — | — | |
| Fluoride SCHEMBL27663148 | 0.88 | — | — | |
| SCHEMBL1521685 | 0.65 | — | — | |
| Fluoride SCHEMBL28135115 | 0.61 | — | — | |
| SCHEMBL28229242 | 0.60 | — | — | |
| SCHEMBL4943501 | 0.60 | — | — | |
| SCHEMBL2589077 | 0.60 | — | — | |
| SCHEMBL27916678 | 0.60 | — | — | |
| SCHEMBL28069053 | 0.60 | — | — | |
| SCHEMBL149796 | 0.60 | — | — |
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-107033044-A | A kind of preparation method to trifluoromethylthio phenol | 江苏凌云药业股份有限公司 | 2017-08-11 | — | — | CN | disclosed |