⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6359296 | 0.92 | — | — | |
| SCHEMBL6355100 | 0.83 | — | — | |
| SCHEMBL6130532 | 0.83 | — | — | |
| SCHEMBL471758 | 0.79 | — | — | |
| SCHEMBL6914595 | 0.78 | — | — | |
| SCHEMBL332871 | 0.78 | — | — | |
| SCHEMBL28291615 | 0.76 | — | — | |
| SCHEMBL291355 | 0.76 | — | — | |
| SCHEMBL25494577 | 0.74 | — | — | |
| SCHEMBL15277847 | 0.74 | — | — |
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-109704935-A | A method of preparing perfluor -3- methyl -2- butanone | 浙江蓝天环保高科技股份有限公司 | 2019-05-03 | — | — | CN | claimed |
| CN-109704935-B | Method for preparing perfluoro-3-methyl-2-butanone | 浙江蓝天环保高科技股份有限公司 | 2022-04-05 | — | — | CN | disclosed |
| CN-109704935-A | A method of preparing perfluor -3- methyl -2- butanone | 浙江蓝天环保高科技股份有限公司 | 2019-05-03 | — | — | CN | disclosed |