SCHEMBL7559623

SCHEMBL7559623

CCCCCCOC(C)OC(F)(F)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
PLA2G2C Q5R387 1/20 0.39
EPHX1 P07099 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
FAAH O00519 7/20 0.36
CES1 P23141 5/20 0.36
NAAA Q02083 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.36

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
SCHEMBL7558553 0.94 CA1 (0.40) CES2PLA2G2CEPHX1CA1CA2
SCHEMBL9017296 0.86 CES2 (0.44) CES2PLA2G2CFAAHCES1NAAA
SCHEMBL8659014 0.76 CES1 (0.42) CES2PLA2G2CCES1
SCHEMBL8599123 0.74 CES2 (0.45) CES2PLA2G2CEPHX1CA1CA2
SCHEMBL8596804 0.74 CES2 (0.45) CES2PLA2G2CEPHX1CA1CA2
SCHEMBL8597892 0.74 CES2 (0.45) CES2PLA2G2CEPHX1CA1CA2
SCHEMBL8595735 0.72 CA1 (0.44) CES2PLA2G2CEPHX1CA1CA2
SCHEMBL16841236 0.71 DNM1 (0.54) USP2LMNAMEN1KMT2A
SCHEMBL873400 0.71 DNM1 (0.54) USP2LMNAMEN1KMT2A
SCHEMBL6686359 0.71 DNM1 (0.54) USP2LMNAMEN1KMT2A

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.

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-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-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