SCHEMBL7756834

SCHEMBL7756834

Cc1ccccc1S(=O)(=O)CCCCCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL7756827 0.81 ALDH1A1 (0.47) ALDH1A1HTT
SCHEMBL7756835 0.74 HSD11B1 (0.33) HSD11B1
SCHEMBL7755223 0.70 CA1 (0.34) ALDH1A1
SCHEMBL7756826 0.69 CA1 (0.35) ALDH1A1
SCHEMBL9099317 0.68 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTT
SCHEMBL8778811 0.68 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTT
SCHEMBL8778823 0.68 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTT
SCHEMBL9101224 0.68 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTT
SCHEMBL9102994 0.68 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTT
SCHEMBL3683856 0.68 KEAP1 (0.59) KEAP1NFE2L2ALDH1A1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792255-B1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING & MFG (US) 2001-02-28 EP disclosed
EP-0792255-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-09-03 EP disclosed
WO-1996015092-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-23 WO disclosed
US-5482650-A Liquid crystal compounds having perfluoroether terminal portions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-01-09 US disclosed