⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20681686 | 1.00 | — | — | |
| SCHEMBL28388925 | 1.00 | — | — | |
| SCHEMBL2464884 | 0.80 | — | — | |
| SCHEMBL105368 | 0.80 | — | — | |
| SCHEMBL333324 | 0.80 | — | — | |
| SCHEMBL6412393 | 0.79 | — | — | |
| SCHEMBL6243795 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL32689472 | 0.76 | — | — | |
| Fluoride SCHEMBL20869507 | 0.76 | — | — | |
| SCHEMBL9480528 | 0.76 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111995502-B | Method for synthesizing perfluorobutyl methyl ether | 中国矿业大学(北京) | 2024-04-12 | — | — | CN | claimed |
| CN-111995502-A | Method for synthesizing perfluorobutyl methyl ether | 中国矿业大学(北京) | 2020-11-27 | — | — | CN | claimed |
| US-4014805-A | SOLVENT, POLYPHOSPHATE, HYDROGEN PEROXIDE, DETERGENT | FMC CORPORATION (US) | 1977-03-29 | — | — | US | claimed |
| CN-111995502-B | Method for synthesizing perfluorobutyl methyl ether | 中国矿业大学(北京) | 2024-04-12 | — | — | CN | disclosed |
| CN-111995502-B | Method for synthesizing perfluorobutyl methyl ether | 中国矿业大学(北京) | 2024-04-12 | — | — | CN | disclosed |
| CN-117586107-A | Catalytic method for preparing methyl perfluorobutyl ether from hexafluoropropylene trimer | 浙江锦华新材料股份有限公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-111995502-A | Method for synthesizing perfluorobutyl methyl ether | 中国矿业大学(北京) | 2020-11-27 | — | — | CN | disclosed |
| CN-111995502-A | Method for synthesizing perfluorobutyl methyl ether | 中国矿业大学(北京) | 2020-11-27 | — | — | CN | disclosed |
| EP-0567872-B1 | Process for the preparation of hexafluorbutane and accessible intermediates therein | BAYER AG (DE) | 1996-03-06 | — | — | EP | disclosed |
| US-5315047-A | Process for the preparation of hexafluorobutane, and intermediates thereby obtainable | BAYER AKTIENGESELLSCHAFT (DE) | 1994-05-24 | — | — | US | disclosed |
| EP-0567872-A1 | Process for the preparation of hexafluorbutane and accessible intermediates therein | BAYER AG (DE) | 1993-11-03 | — | — | EP | disclosed |
| US-4014805-A | SOLVENT, POLYPHOSPHATE, HYDROGEN PEROXIDE, DETERGENT | FMC CORPORATION (US) | 1977-03-29 | — | — | US | disclosed |
| US-4013575-A | Dry cleaning with peracids | FMC CORPORATION (US) | 1977-03-22 | — | — | US | disclosed |