⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11227848 | 0.77 | — | — | |
| SCHEMBL7135674 | 0.74 | — | — | |
| SCHEMBL7570675 | 0.72 | — | — | |
| SCHEMBL9153027 | 0.64 | — | — | |
| SCHEMBL28859570 | 0.61 | — | — | |
| SCHEMBL6549570 | 0.61 | — | — | |
| SCHEMBL11095008 | 0.57 | — | — | |
| SCHEMBL10500726 | 0.56 | — | — | |
| SCHEMBL8905040 | 0.53 | — | — | |
| SCHEMBL3416836 | 0.53 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114214646-B | Synthesis method of electrochemical oxidation 2-trifluoromethyl-alpha-carbonyl dithio ketene compound | 南通大学 | 2023-08-29 | — | — | CN | disclosed |
| CN-114214646-A | Synthesis method for electrochemically oxidizing 2-trifluoromethyl-alpha-carbonyl dithio-ketene acetal compound | 南通大学 | 2022-03-22 | — | — | CN | disclosed |