SCHEMBL7563945

SCHEMBL7563945

CCCCOCCCCOC(F)(F)C(F)(F)C(F)(F)C(O)(F)F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.43
TSHR P16473 2/20 0.41
CES2 O00748 2/20 0.40
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CYP3A4 P08684 1/20 0.32
PLA2G2C Q5R387 1/20 0.31
USP2 O75604 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
SCHEMBL7754453 0.93 TSHR (0.41) CES1TSHRCES2MEN1THRB
SCHEMBL7558018 0.93 CES1 (0.36) CES1TSHRCES2
SCHEMBL7750849 0.91 TSHR (0.39) CES1TSHRCES2MEN1THRB
SCHEMBL7754447 0.91 TSHR (0.39) CES1TSHRCES2MEN1THRB
SCHEMBL7754047 0.90 CES1 (0.49) CES1TSHRCES2MEN1THRB
SCHEMBL7750899 0.88 CES1 (0.47) CES1TSHRCES2MEN1THRB
SCHEMBL7565286 0.87 CES1 (0.37) CES1TSHRCES2
SCHEMBL7558796 0.83 CES1 (0.47) CES1CES2MEN1THRBHTT
SCHEMBL7566221 0.83 CES1 (0.47) CES1CES2MEN1THRBHTT
SCHEMBL7558673 0.83 CES1 (0.47) CES1CES2MEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638112-B1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING & MFG (US) 2002-08-07 EP disclosed
EP-0792255-B1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING & MFG (US) 2001-02-28 EP disclosed
EP-0736078-B1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING & MFG (US) 1998-06-24 EP disclosed
EP-0792255-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-09-03 EP disclosed
EP-0736078-A1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-10-09 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
US-5474705-A Electrooptical displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-12-12 US disclosed
WO-1995017481-A1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-06-29 WO disclosed
WO-1993022396-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-11-11 WO disclosed