SCHEMBL6660968

SCHEMBL6660968

CCCCCCCCOc1ccc(Br)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.50
TSHR P16473 2/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
TP53 P04637 2/20 0.45
LTA4H P09960 1/20 0.45
SMPD1 P17405 3/20 0.44
PLA2G4B P0C869 1/20 0.44
HTR1A P08908 5/20 0.44
HTR1D P28221 5/20 0.44
HTR1B P28222 5/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTR2A P28223 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL8731575 1.00 NR5A1 (0.50) NR5A1TSHRTHRATHRBTP53
SCHEMBL9494440 1.00 NR5A1 (0.50) NR5A1TSHRTHRATHRBTP53
SCHEMBL8751857 1.00 NR5A1 (0.50) NR5A1TSHRTHRATHRBTP53
SCHEMBL9698432 1.00 NR5A1 (0.50) NR5A1TSHRTHRATHRBTP53
SCHEMBL8216480 1.00 NR5A1 (0.50) NR5A1TSHRTHRATHRBTP53
SCHEMBL8751856 1.00 NR5A1 (0.50) NR5A1TSHRTHRATHRBTP53
SCHEMBL8751885 1.00 NR5A1 (0.50) NR5A1TSHRTHRATHRBTP53
SCHEMBL28270199 0.98 NR5A1 (0.47) NR5A1TSHRTHRATHRBTP53
SCHEMBL2482331 0.95 NSD2 (0.45) NR5A1TSHRTHRATHRBLTA4H
SCHEMBL9931761 0.88 NSD2 (0.45) LTA4HHTR1AHTR1BCYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150340612-A1 UV EMITTERS COMPRISING A MULTIPLE BOND MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150340612-A1 UV EMITTERS COMPRISING A MULTIPLE BOND MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150340612-A1 UV EMITTERS COMPRISING A MULTIPLE BOND MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
EP-2941471-A1 UV EMITTERS COMPRISING A MULTIPLE BOND Merck Patent GmbH (DE) 2015-11-11 EP disclosed
WO-2014106520-A1 UV EMITTERS COMPRISING A MULTIPLE BOND MERCK PATENT GMBH (DE) 2014-07-10 WO disclosed
EP-1160233-B1 Novel terphenyl compounds SHARP KK (JP) 2004-07-21 EP disclosed
EP-1160233-A2 Novel terphenyl compounds SHARP KABUSHIKI KAISHA (JP) 2001-12-05 EP disclosed
US-5853613-A Chiral cyclohexyl compounds SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1998-12-29 US disclosed
EP-0767772-A1 NOVEL CHIRAL CYCLOHEXYL COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1997-04-16 EP disclosed
WO-1996000710-A1 NOVEL CHIRAL CYCLOHEXYL COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 1996-01-11 WO disclosed
US-5397504-A Liquid crystal KANTO KAGAKU KABUSHIKI KAISHA (JP) 1995-03-14 US disclosed
EP-0315701-B1 BIPHENYL COMPOUND KANTO KAGAKU (JP) 1993-12-29 EP disclosed
US-5273680-A A chiral tilted smectic liquid crystal based on terphenyls MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-12-28 US disclosed
EP-0329752-B1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1993-03-17 EP disclosed
EP-0329752-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1989-08-30 EP disclosed
EP-0315701-A1 BIPHENYL COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 1989-05-17 EP disclosed
WO-1989002425-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-03-23 WO disclosed