⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17822138 | 0.79 | — | — | |
| SCHEMBL1134599 | 0.72 | — | — | |
| SCHEMBL1989349 | 0.72 | — | — | |
| SCHEMBL865476 | 0.70 | — | — | |
| SCHEMBL710882 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL1222657 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL6904229 | 0.67 | — | — | |
| SCHEMBL10655973 | 0.67 | — | — | |
| SCHEMBL8083473 | 0.67 | — | — | |
| SCHEMBL177914 | 0.65 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102076644-B | Method for producing 1,2,3, 4-tetrachlorohexafluorobutane | SHOWA DENKO KK | 2015-03-11 | — | — | CN | claimed |
| US-8404906-B2 | Process for producing 1,2,3,4-tetrachlorohexafluorobutane | SHOWA DENKO K.K. (JP) | 2013-03-26 | — | — | US | claimed |
| CN-102076644-A | Method for producing 1,2,3, 4-tetrachlorohexafluorobutane | SHOWA DENKO KK | 2011-05-25 | — | — | CN | claimed |
| US-20110112341-A1 | PROCESS FOR PRODUCING 1,2,3,4-TETRACHLOROHEXAFLUOROBUTANE | SHOWADENKO K.K. (JP) | 2011-05-12 | — | — | US | claimed |
| CN-102076644-B | Method for producing 1,2,3, 4-tetrachlorohexafluorobutane | SHOWA DENKO KK | 2015-03-11 | — | — | CN | disclosed |
| US-8404906-B2 | Process for producing 1,2,3,4-tetrachlorohexafluorobutane | SHOWA DENKO K.K. (JP) | 2013-03-26 | — | — | US | disclosed |
| CN-102076644-A | Method for producing 1,2,3, 4-tetrachlorohexafluorobutane | SHOWA DENKO KK | 2011-05-25 | — | — | CN | disclosed |
| US-20110112341-A1 | PROCESS FOR PRODUCING 1,2,3,4-TETRACHLOROHEXAFLUOROBUTANE | SHOWADENKO K.K. (JP) | 2011-05-12 | — | — | US | disclosed |
| US-7812202-B2 | Process for producing hexafluoro-1,3-butadiene | SHOWA DENKO K.K. (JP) | 2010-10-12 | — | — | US | disclosed |
| US-7799959-B2 | Process for producing 1,2,3,4-tetrachlorohexafluorobutane | SHOWA DENKO K.K. (JP) | 2010-09-21 | — | — | US | disclosed |
| US-20090216053-A1 | PROCESS FOR PRODUCING HEXAFLUORO-1,3-BUTADIENE | SHOWA DENKO K.K. (JP) | 2009-08-27 | — | — | US | disclosed |
| US-20090216054-A1 | PROCESS FOR PRODUCING 1,2,3,4-TETRACHLOROHEXAFLUOROBUTANE | SHOWA DENKO K.K. (JP) | 2009-08-27 | — | — | US | disclosed |
| CN-101432253-A | Method for producing hexafluoro-1,3-butadiene | SHOWA DENKO KK (JP) | 2009-05-13 | — | — | CN | disclosed |
| CN-101432252-A | Method for producing 1,2,3,4-tetrachlorohexafluorobutane | SHOWA DENKO KK (JP) | 2009-05-13 | — | — | CN | disclosed |