⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17525898 | 0.75 | — | — | |
| SCHEMBL347823 | 0.75 | — | — | |
| SCHEMBL19908650 | 0.72 | — | — | |
| SCHEMBL14160006 | 0.72 | — | — | |
| SCHEMBL303510 | 0.72 | — | — | |
| SCHEMBL24279707 | 0.72 | — | — | |
| SCHEMBL4274065 | 0.72 | — | — | |
| SCHEMBL537464 | 0.72 | — | — | |
| SCHEMBL8268594 | 0.72 | — | — | |
| SCHEMBL27399325 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118684548-A | Method for selective gem-difluoroallylation of (hetero) aryl phenols or polypeptides | 中国科学院上海有机化学研究所 | 2024-09-24 | — | — | CN | disclosed |
| CN-115260069-B | 3, 3-difluoroallylium salt compound and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2023-10-27 | — | — | CN | disclosed |
| WO-2023030279-A1 | 3, 3-DIFLUOROALLYLIC ONIUM SALT COMPOUND AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 中国科学院上海有机化学研究所 | 2023-03-09 | — | — | WO | disclosed |
| CN-115260069-A | 3,3-difluoroallylonium salt compound and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2022-11-01 | — | — | CN | disclosed |