SCHEMBL14337205

SCHEMBL14337205

CC1CCC(c2ccc(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.38
HIF1A Q16665 1/20 0.36
CPS1 P31327 7/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FASN P49327 1/20 0.34

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
SCHEMBL13671359 1.00 ESR2 (0.38) ESR2HIF1ACPS1ALDH1A1HPGD
SCHEMBL10014268 0.89 HIF1A (0.40) ESR2HIF1ACPS1ALDH1A1HPGD
SCHEMBL13480369 0.88 ESR2 (0.36) ESR2HIF1AALDH1A1HPGDTSHR
SCHEMBL13671363 0.88 HIF1A (0.43) ESR2HIF1ACPS1ALDH1A1HPGD
SCHEMBL10091184 0.88 GAA (0.43) ESR2HIF1AALDH1A1HPGDHSD17B10
SCHEMBL14337520 0.88 HIF1A (0.43) ESR2HIF1ACPS1ALDH1A1HPGD
SCHEMBL12718785 0.87 SLC6A3 (0.40) ESR2HIF1ACPS1
SCHEMBL13986755 0.86 CYP1A2 (0.42) ESR2HIF1ACPS1ALDH1A1
SCHEMBL14337281 0.86 EPHX2 (0.35) ESR2HIF1ACPS1ALDH1A1HPGD
SCHEMBL13480375 0.86 EPHX2 (0.35) ESR2HIF1ACPS1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7604851-B2 Containing at least two nitrile-free mesogenic compounds, one of which contains rings including a phenyl ring llinked by at least one -CF2O- group; electrooptical dispalys MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2009-10-20 US disclosed
US-7449222-B2 Liquid-crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-11-11 US disclosed
US-20080121843-A1 Liquid crystals having a terminal polar radical and a terminal CH3 group and simultaneously having very high specific resistances and low threshold voltages requiring a high clearing point and low rotational viscosity; matrices HECKMEIER MICHAEL 2008-05-29 US disclosed
US-7361388-B2 Liquid-crystalline compounds having a tetrahydropyran ring MERCK PATENT GMBH (DE) 2008-04-22 US disclosed
US-7361288-B2 Components for high-frequency technology MERCK PATENT GESELLSCHAFT MIT BESSCHRANKTER HAFTUNG (DE) 2008-04-22 US disclosed
US-7344761-B2 Liquid-crystalline compounds MERCK PATENT GESELLASCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-03-18 US disclosed
US-7316830-B2 Phenyl fluorobenzoate (p-fluorophenyl 4-(trans-4-propylcyclohexyl)-2,6-difluorobenzoate) and a bicyclohexyl compound (4,4'-vinylbicyclohexyl); very high resistivity at the same time as a broad operating temperature range, short response times, even at low temperatures, and a low threshold voltage MERCK PATENT GMBH (DE) 2008-01-08 US disclosed
US-7303791-B2 Liquid crystals having a terminal polar radical and a terminal CH3 group and simultaneously having very high specific resistances and low threshold voltages requiring a high clearing point and low rotational viscosity; matrices MERCK PATENT GMBH (DE) 2007-12-04 US disclosed
US-20070269614-A1 Containing at least two nitrile-free mesogenic compounds, one of which contains rings including a phenyl ring llinked by at least one -CF2O- group; electrooptical dispalys HECKMEIER MICHAEL 2007-11-22 US disclosed
US-7291367-B2 Liquid-crystalline compounds MERCK PATENT GMBH (DE) 2007-11-06 US disclosed
US-7250198-B2 For electrooptical display MERCK PATENT GMBH (DE) 2007-07-31 US disclosed
US-7189440-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-03-13 US disclosed
US-7179511-B2 For use in electro-optical displays MERCK PATENT GMBH (DE) 2007-02-20 US disclosed
US-20070034828-A1 Containing 3 directly connected rings: a fluorophenyl ring, a tetrahydropyran ring and either another tetrahydropyran ring or a 1,3-dioxane ring; electrooptical displays; MERCK PATENT GMBH (DE) 2007-02-15 US disclosed