SCHEMBL6046904

SCHEMBL6046904

CCCCCc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.59
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
FFAR4 Q5NUL3 2/20 0.53
HTR2A P28223 2/20 0.51
ALDH1A1 P00352 2/20 0.50
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
SHBG P04278 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSPD1 P10809 1/20 0.50

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
SCHEMBL30785014 1.00 FFAR1 (0.59) FFAR1HSD17B10TSHRFFAR4HTR2A
SCHEMBL2837648 0.98 FFAR1 (0.57) FFAR1HSD17B10TSHRFFAR4HTR2A
SCHEMBL1495032 0.94 FFAR1 (0.61) FFAR1HSD17B10TSHRFFAR4HTR2A
SCHEMBL8433963 0.92 HSD17B10 (0.61) FFAR1HSD17B10TSHRFFAR4HTR2A
SCHEMBL9328232 0.92 HSD17B10 (0.61) FFAR1HSD17B10TSHRFFAR4HTR2A
SCHEMBL28257465 0.91 HSD17B10 (0.63) FFAR1HSD17B10TSHRHTR2AALDH1A1
SCHEMBL17172507 0.90 FFAR1 (0.50) FFAR1HSD17B10TSHRFFAR4HTR2A
SCHEMBL9330316 0.90 HSD17B10 (0.65) FFAR1HSD17B10TSHRFFAR4HTR2A
SCHEMBL9327044 0.90 HSD17B10 (0.65) FFAR1HSD17B10TSHRFFAR4HTR2A
SCHEMBL9330328 0.90 HSD17B10 (0.65) FFAR1HSD17B10TSHRFFAR4HTR2A

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
CN-108431174-B Birefringent liquid crystal compositions comprising alkylsulfanyl aryl isothiocyanatodiphenylacetylene compounds 依视路国际公司 2022-08-26 CN claimed
US-11279878-B2 Birefringent liquid crystal composition comprising alkylsulfanylaryl isothiocyanato tolane compounds ESSILOR INTERNATIONAL (FR) 2022-03-22 US claimed
EP-3394206-B1 BIREFRINGENT LIQUID CRYSTAL COMPOSITION COMPRISING ALKYLSULFANYLARYL ISOTHIOCYANATO TOLANE COMPOUNDS ESSILOR INT (FR) 2021-05-05 EP claimed
US-20180371317-A1 BIREFRINGENT LIQUID CRYSTAL COMPOSITION COMPRISING ALKYLSULFANYLARYL ISOTHIOCYANATO TOLANE COMPOUNDS ESSILOR INTERNATIONAL (FR) 2018-12-27 US claimed
EP-3394206-A1 BIREFRINGENT LIQUID CRYSTAL COMPOSITION COMPRISING ALKYLSULFANYLARYL ISOTHIOCYANATO TOLANE COMPOUNDS Essilor International (FR) 2018-10-31 EP claimed
WO-2017109534-A1 BIREFRINGENT LIQUID CRYSTAL COMPOSITION COMPRISING ALKYLSULFANYLARYL ISOTHIOCYANATO TOLANE COMPOUNDS Essilor International (Compagnie Générale d'Optique) (FR) 2017-06-29 WO claimed
CN-108431174-B Birefringent liquid crystal compositions comprising alkylsulfanyl aryl isothiocyanatodiphenylacetylene compounds 依视路国际公司 2022-08-26 CN disclosed
US-11279878-B2 Birefringent liquid crystal composition comprising alkylsulfanylaryl isothiocyanato tolane compounds ESSILOR INTERNATIONAL (FR) 2022-03-22 US disclosed
EP-3394206-B1 BIREFRINGENT LIQUID CRYSTAL COMPOSITION COMPRISING ALKYLSULFANYLARYL ISOTHIOCYANATO TOLANE COMPOUNDS ESSILOR INT (FR) 2021-05-05 EP disclosed
US-20180371317-A1 BIREFRINGENT LIQUID CRYSTAL COMPOSITION COMPRISING ALKYLSULFANYLARYL ISOTHIOCYANATO TOLANE COMPOUNDS ESSILOR INTERNATIONAL (FR) 2018-12-27 US disclosed
EP-3394206-A1 BIREFRINGENT LIQUID CRYSTAL COMPOSITION COMPRISING ALKYLSULFANYLARYL ISOTHIOCYANATO TOLANE COMPOUNDS Essilor International (FR) 2018-10-31 EP disclosed
CN-108431174-A Include the birefringence liquid crystal composition of alkyl alkylthio base aryl isosulfocyanate radical tolane compound 依视路国际公司 2018-08-21 CN disclosed
WO-2017109534-A1 BIREFRINGENT LIQUID CRYSTAL COMPOSITION COMPRISING ALKYLSULFANYLARYL ISOTHIOCYANATO TOLANE COMPOUNDS Essilor International (Compagnie Générale d'Optique) (FR) 2017-06-29 WO disclosed
CN-104870612-A Liquid-crystal displays and liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH 2015-08-26 CN disclosed
US-20060166033-A1 Polymerizable, luminescent compounds and mixtures, luminescent polymer materials and their use MERCK PATENT GMBH (DE) 2006-07-27 US disclosed
EP-1517975-A2 POLYMERIZABLE, LUMINESCENT COMPOUNDS AND MIXTURES, LUMINESCENT POLYMER MATERIALS AND THEIR USE MERCK PATENT GmbH (DE) 2005-03-30 EP disclosed
WO-2004003102-A2 POLYMERIZABLE, LUMINESCENT COMPOUNDS AND MIXTURES, LUMINESCENT POLYMER MATERIALS AND THEIR USE MERCK PATENT GMBH (DE) 2004-01-08 WO disclosed