SCHEMBL7565199

SCHEMBL7565199

O=C(O)c1ccc(OCC(F)(F)OC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
NR4A2 P43354 5/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
PLA2G4B P0C869 2/20 0.43
MAPK1 P28482 1/20 0.43
TP53 P04637 1/20 0.43
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
SRD5A2 P31213 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7560869 0.84 MAPT (0.55) NPC1POLBRAB9ASMN1; SMN2L3MBTL1
SCHEMBL23804499 0.80 PKM (0.53) PKMNR4A2NR4A1NR4A3ALDH1A1
SCHEMBL7565445 0.80 LTA4H (0.39)
SCHEMBL9578562 0.80 PKM (0.53) PKMNR4A2NR4A1NR4A3ALDH1A1
SCHEMBL1985055 0.80 L3MBTL1 (0.60) PKMNR4A2NR4A1NR4A3ALDH1A1
SCHEMBL9143125 0.78 TSHR (0.52) PKMNR4A2NR4A1NR4A3ALDH1A1
SCHEMBL27697782 0.77 NR4A2 (0.54) PKMNR4A2NR4A1NR4A3ALDH1A1
SCHEMBL25790173 0.76 TSHR (0.55) PKMNR4A2NR4A1NR4A3ALDH1A1
SCHEMBL7560691 0.76 ESR2 (0.39)
SCHEMBL17176884 0.76 PKM (0.60) PKMNR4A2NR4A1NR4A3ALDH1A1

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 9 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-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
US-5437812-A Achiral and having low-temperature smectic mesophases or or latent smectic mesophases; used in mixtures with fluorinated liquid crystals; low birefringence and viscosity; high speed switches; stability MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-08-01 US disclosed
EP-0638112-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-15 EP disclosed
US-5262082-A Ferroelectric liquid crystal compounds having perfluoroether terminal portions MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-11-16 US disclosed
WO-1993022396-A1 LIQUID CRYSTAL COMPOUNDS HAVING PERFLUOROETHER TERMINAL PORTIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-11-11 WO disclosed