⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28565223 | 0.70 | — | — | |
| SCHEMBL1369784 | 0.67 | — | — | |
| SCHEMBL1542058 | 0.66 | — | — | |
| SCHEMBL9793648 | 0.66 | — | — | |
| SCHEMBL14248768 | 0.64 | — | — | |
| SCHEMBL28263753 | 0.63 | — | — | |
| SCHEMBL5787418 | 0.63 | — | — | |
| SCHEMBL28546517 | 0.62 | — | — | |
| SCHEMBL28836698 | 0.62 | — | — | |
| SCHEMBL6779736 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116640158-A | Fluoro sulfonyl difluoro acetic acid metal salt complex, preparation method and application thereof | 上海应用技术大学 | 2023-08-25 | — | — | CN | disclosed |
| CN-104045585-B | Novel trifluoromethyl reagent and preparation thereof and application | 中国科学院上海有机化学研究所 | 2016-06-29 | — | — | CN | disclosed |
| CN-104045585-A | New trifluoro methylation reagent and preparation and application thereof | SHANGHAI INST ORGANIC CHEM | 2014-09-17 | — | — | CN | disclosed |