⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28992490 | 0.83 | — | — | |
| SCHEMBL18918243 | 0.76 | — | — | |
| SCHEMBL21224838 | 0.69 | — | — | |
| SCHEMBL11324641 | 0.68 | — | — | |
| SCHEMBL11320843 | 0.68 | — | — | |
| SCHEMBL17331113 | 0.66 | — | — | |
| SCHEMBL28143622 | 0.65 | — | — | |
| SCHEMBL11318521 | 0.65 | — | — | |
| SCHEMBL14053309 | 0.64 | — | — | |
| SCHEMBL22264138 | 0.64 | — | — |
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-116057036-A | Fluorine-containing carboxylate compound | 大金工业株式会社 | 2023-05-02 | — | — | CN | disclosed |