⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6130500 | 0.90 | — | — | |
| SCHEMBL291355 | 0.88 | — | — | |
| SCHEMBL11795765 | 0.86 | — | — | |
| SCHEMBL6355391 | 0.82 | — | — | |
| SCHEMBL2327990 | 0.79 | — | — | |
| SCHEMBL6913665 | 0.78 | — | — | |
| SCHEMBL6913660 | 0.78 | — | — | |
| SCHEMBL16477668 | 0.78 | — | — | |
| SCHEMBL6915641 | 0.78 | — | — | |
| SCHEMBL3720797 | 0.78 | — | — |
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-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 |