⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14722063 | 0.71 | — | — | |
| SCHEMBL1357 | 0.71 | — | — | |
| SCHEMBL29859818 | 0.71 | — | — | |
| SCHEMBL11761390 | 0.67 | — | — | |
| Water SCHEMBL23360804 | 0.63 | — | — | |
| SCHEMBL876858 | 0.63 | — | — | |
| Fluoride SCHEMBL8137697 | 0.63 | — | — | |
| Hydrogen Sulfide SCHEMBL1485812 | 0.63 | — | — | |
| SCHEMBL1485806 | 0.63 | — | — | |
| Methane SCHEMBL1005333 | 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 |
|---|---|---|---|---|---|---|---|
| CN-110407727-B | Method for preparing alkyl trifluoromethyl selenide | 武汉理工大学 | 2020-07-31 | — | — | CN | disclosed |