SCHEMBL7565445

SCHEMBL7565445

Oc1ccc(OCC(F)(F)OC(F)(F)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGS2 P35354 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
APP P05067 2/20 0.37
NR5A1 Q13285 1/20 0.37
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7560691 0.95 ESR2 (0.39) LTA4HLMNACYP1A2PTGS1SLC6A2
SCHEMBL7558830 0.85 CYP17A1 (0.40) LMNACYP1A2CYP2C19HIF1AESR1
SCHEMBL6973054 0.85 LTA4H (0.34) LTA4HLMNACYP1A2PTGS1SLC6A2
SCHEMBL8542097 0.82 ESR2 (0.37) LTA4HLMNACYP1A2PTGS1SLC6A2
SCHEMBL7557746 0.82 ESR2 (0.34) LTA4HLMNACYP1A2PTGS1SLC6A2
SCHEMBL9122253 0.82 NPC1 (0.37) MEN1KMT2A
SCHEMBL7565199 0.80 PKM (0.47)
SCHEMBL420063 0.79 MAPT (0.35) CYP1A2CYP2C19MEN1KMT2A
SCHEMBL9578594 0.77 LTA4H (0.44) LTA4HLMNACYP1A2PTGS1SLC6A2
SCHEMBL7560869 0.77 MAPT (0.55) LMNAMEN1KMT2A

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