⚠ 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 | 0.61 | — | — | |
| SCHEMBL1357 | 0.61 | — | — | |
| SCHEMBL30051067 | 0.61 | — | — | |
| SCHEMBL29859818 | 0.61 | — | — | |
| SCHEMBL6408109 | 0.55 | — | — | |
| Fluoride SCHEMBL7163696 | 0.55 | — | — | |
| SCHEMBL7105669 | 0.55 | — | — | |
| SCHEMBL1485806 | 0.55 | — | — | |
| SCHEMBL3248062 | 0.55 | — | — | |
| Hydrogen Sulfide SCHEMBL1485812 | 0.55 | — | — |
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-117865773-A | Preparation method of difluoromethyl aromatic compound based on palladium-catalyzed decarbonylation coupling | 大连理工大学 | 2024-04-12 | — | — | CN | disclosed |