SCHEMBL7756835

SCHEMBL7756835

Cc1ccccc1S(=O)(=O)O.OCCCCC(F)(F)OC(F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33

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
SCHEMBL7093913 0.76
SCHEMBL7756834 0.74 KEAP1 (0.42) HSD11B1
1,3-Propanediol SCHEMBL1502277 0.71 MYC (0.44) HSD11B1
Trifluoroethanol SCHEMBL9827955 0.69 HSD11B1 (0.46) HSD11B1
Ethylene Glycol SCHEMBL1639873 0.68 MYC (0.47) HSD11B1
Ethylene Glycol SCHEMBL15653006 0.68 MYC (0.47) HSD11B1
Butyl Alcohol SCHEMBL27648067 0.66 RAPGEF4 (0.42)
SCHEMBL7750845 0.66 ALDH1A1 (0.31)
SCHEMBL14841233 0.65 HSD11B1 (0.43) HSD11B1
Alcohol SCHEMBL27960969 0.65 RAPGEF4 (0.49) HSD11B1

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