⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10469608 | 0.79 | ACHE (0.32) | — | |
| SCHEMBL29243185 | 0.77 | CES2 (0.38) | — | |
| SCHEMBL28318524 | 0.77 | — | — | |
| SCHEMBL27586992 | 0.77 | — | — | |
| SCHEMBL27884266 | 0.75 | — | — | |
| SCHEMBL1706440 | 0.75 | MAPT (0.31) | — | |
| SCHEMBL503350 | 0.74 | PKM (0.37) | — | |
| SCHEMBL3626252 | 0.73 | CA1 (0.31) | — | |
| SCHEMBL7488958 | 0.72 | — | — | |
| SCHEMBL19915241 | 0.72 | PKM (0.35) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103980118-B | The synthetic method of bromo-2,3,3, the 3-tetrafluoro ethyl propionates of a kind of 2- | ZHEJIANG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2016-04-20 | — | — | CN | claimed |
| CN-103980118-A | Synthetic method of 2-bromine-2,3,3,3-tetrafluoropropionic acid ethyl ester | UNIV ZHEJIANG SCIENCES | 2014-08-13 | — | — | CN | claimed |
| CN-103980118-B | The synthetic method of bromo-2,3,3, the 3-tetrafluoro ethyl propionates of a kind of 2- | ZHEJIANG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2016-04-20 | — | — | CN | disclosed |
| CN-103980118-B | The synthetic method of bromo-2,3,3, the 3-tetrafluoro ethyl propionates of a kind of 2- | ZHEJIANG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2016-04-20 | — | — | CN | disclosed |
| CN-103980118-B | The synthetic method of bromo-2,3,3, the 3-tetrafluoro ethyl propionates of a kind of 2- | ZHEJIANG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2016-04-20 | — | — | CN | disclosed |
| CN-103980118-A | Synthetic method of 2-bromine-2,3,3,3-tetrafluoropropionic acid ethyl ester | UNIV ZHEJIANG SCIENCES | 2014-08-13 | — | — | CN | disclosed |