⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1022399 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL8636614 | 0.73 | — | — | |
| SCHEMBL11042600 | 0.71 | — | — | |
| SCHEMBL8354582 | 0.69 | — | — | |
| SCHEMBL28541945 | 0.63 | CETP (0.32) | — | |
| SCHEMBL6415640 | 0.62 | — | — | |
| SCHEMBL8348026 | 0.62 | — | — | |
| Methylene Chloride SCHEMBL10353633 | 0.60 | ALDH1A1 (0.36) | — | |
| SCHEMBL21591937 | 0.60 | — | — | |
| SCHEMBL16824101 | 0.60 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3720834-A1 | PROCESS AND INTERMEDIATES FOR PREPARING 1,1,3-TRICHLORO-4,4,4-TRIFLUOROBUT-1-ENE AND (E)-1,1,1,4,4,4-HEXAFLUOROBUT-2-ENE | The Chemours Company FC, LLC (US) | 2020-10-14 | — | — | EP | claimed |
| CN-111433177-A | Processes and intermediates for the preparation of 1,1, 3-trichloro-4, 4, 4-trifluorobut-1-ene and (E) -1,1,1,4,4, 4-hexafluorobut-2-ene | 科慕埃弗西有限公司 | 2020-07-17 | — | — | CN | claimed |
| WO-2019113052-A1 | PROCESS AND INTERMEDIATES FOR PREPARING 1,1,3-TRICHLORO-4,4,4-TRIFLUOROBUT-1-ENE AND (E)-1,1,1,4,4,4-HEXAFLUOROBUT-2-ENE | THE CHEMOURS COMPANY FC, LLC (US) | 2019-06-13 | — | — | WO | claimed |
| US-11390574-B2 | Process for producing 1,1,3-trichloro-4,4,4-trifluorobut-1-ene | THE CHEMOURS COMPANY FC, LLC (US) | 2022-07-19 | — | — | US | disclosed |
| US-20210188743-A1 | Process and Intermediates for Preparing (E)-1,1,1,4,4,4-hexafluorobut-2-ene | THE CHEMOURS COMPANY FC, LLC (US) | 2021-06-24 | — | — | US | disclosed |
| EP-3720834-A1 | PROCESS AND INTERMEDIATES FOR PREPARING 1,1,3-TRICHLORO-4,4,4-TRIFLUOROBUT-1-ENE AND (E)-1,1,1,4,4,4-HEXAFLUOROBUT-2-ENE | The Chemours Company FC, LLC (US) | 2020-10-14 | — | — | EP | disclosed |
| CN-111433177-A | Processes and intermediates for the preparation of 1,1, 3-trichloro-4, 4, 4-trifluorobut-1-ene and (E) -1,1,1,4,4, 4-hexafluorobut-2-ene | 科慕埃弗西有限公司 | 2020-07-17 | — | — | CN | disclosed |
| WO-2019113052-A1 | PROCESS AND INTERMEDIATES FOR PREPARING 1,1,3-TRICHLORO-4,4,4-TRIFLUOROBUT-1-ENE AND (E)-1,1,1,4,4,4-HEXAFLUOROBUT-2-ENE | THE CHEMOURS COMPANY FC, LLC (US) | 2019-06-13 | — | — | WO | disclosed |