⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15903871 | 0.69 | — | — | |
| SCHEMBL1204627 | 0.69 | — | — | |
| SCHEMBL2818880 | 0.68 | — | — | |
| SCHEMBL31173784 | 0.67 | — | — | |
| SCHEMBL28772033 | 0.67 | — | — | |
| SCHEMBL1286275 | 0.67 | — | — | |
| SCHEMBL28335426 | 0.65 | — | — | |
| SCHEMBL28251809 | 0.65 | — | — | |
| SCHEMBL228007 | 0.65 | — | — | |
| SCHEMBL19565719 | 0.65 | — | — |
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-106146556-B | Er Fu Jia Ji phosphonium salts and its preparation method and application | 中国科学院上海有机化学研究所 | 2018-09-21 | — | — | CN | disclosed |
| CN-106146556-A | Difluoromethyl salt and its preparation method and application | 中国科学院上海有机化学研究所 | 2016-11-23 | — | — | CN | disclosed |