SCHEMBL5409302

SCHEMBL5409302

O=S([O-])c1cccc2ccccc12.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
ALDH1A1 P00352 6/20 0.34
PAX8 Q06710 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
CYP2A6 P11509 3/20 0.32
TSHR P16473 3/20 0.32
HSD17B10 Q99714 3/20 0.32
CDC25B P30305 2/20 0.32
CYP1A2 P05177 3/20 0.31
CYP3A4 P08684 3/20 0.31
HPGD P15428 3/20 0.31
KEAP1 Q14145 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31
ATM Q13315 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL29850141 0.85 ALDH1A1 (0.41) NR4A1NR4A2NR4A3ALDH1A1PAX8
SCHEMBL28421820 0.85 ALDH1A1 (0.41) NR4A1NR4A2NR4A3ALDH1A1PAX8
SCHEMBL1583760 0.85 ALDH1A1 (0.41) NR4A1NR4A2NR4A3ALDH1A1PAX8
SCHEMBL21314248 0.73 KDM4E (0.49) NR4A1NR4A2NR4A3ALDH1A1TDP1
Tetrabuthylammonium SCHEMBL1823067 0.70 KDM4E (0.37) ALDH1A1TDP1CYP1A2HPGDNPC1
SCHEMBL303603 0.69 CA1 (0.50) TSHRKEAP1CA1CA2CA9
SCHEMBL5408024 0.69 ALDH1A1 (0.39) ALDH1A1TDP1CYP2A6HSD17B10CYP1A2
SCHEMBL19975211 0.69 ALDH1A1 (0.43) NR4A1NR4A2NR4A3ALDH1A1PAX8
SCHEMBL11414091 0.68 RAB9A (0.38) ALDH1A1TDP1HSD17B10HPGDCA1
SCHEMBL347056 0.67 CYP1A2 (0.44) NR4A1NR4A2NR4A3ALDH1A1TDP1

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-1684698-B1 PHOTOINITIATORS HAVING TRIARYLSULFONIUM AND ARYLSULFINATE IONS 3M INNOVATIVE PROPERTIES CO (US) 2013-10-02 EP disclosed
CN-1859893-B Photoinitiators with triarylsulfonium ions and arylsulfinate ions 3M INNOVATIVE PROPERTIES CO 2011-05-25 CN disclosed
US-7297724-B2 Photoiniators having triarylsulfonium and arylsulfinate ions 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-11-20 US disclosed
CN-1859893-A Photoinitiators with triarylsulfonium ions and arylsulfinate ions 3M INNOVATIVE PROPERTIES CO (US) 2006-11-08 CN disclosed
EP-1684698-A1 PHOTOINITIATORS HAVING TRIARYLSULFONIUM AND ARYLSULFINATE IONS 3M Innovative Properties Company (US) 2006-08-02 EP disclosed
US-20060111463-A1 PHOTOINIATORS HAVING TRIARYLSULFONIUM AND ARYLSULFINATE IONS 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
US-7026367-B2 Photoiniators having triarylsulfonium and arylsulfinate ions 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-11 US disclosed
WO-2005034885-A1 PHOTOINITIATORS HAVING TRIARYLSULFONIUM AND ARYLSULFINATE IONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-21 WO disclosed
US-20050070621-A1 Photoiniators having triarylsulfonium and arylsulfinate ions 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 US disclosed