SCHEMBL2177430

SCHEMBL2177430

SSc1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.44
CYP1A2 P05177 4/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ALOX12 P18054 1/20 0.42
ANPEP P15144 1/20 0.41
HAO1 Q9UJM8 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 1/20 0.41
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39

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
SCHEMBL8489536 0.81 ALDH1A1 (0.56) CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10
Anthracene SCHEMBL28066631 0.79 HSD17B10 (0.41) CYP2A6CYP1A2CA1CA2ALDH1A1
SCHEMBL30832956 0.78 LMNA (0.57) CYP2A6CYP1A2CA1CA2ALDH1A1
SCHEMBL225296 0.78 HSD17B10 (0.56) CYP2A6CYP1A2CA1CA2ALDH1A1
SCHEMBL29791497 0.78 HSD17B10 (0.56) CYP2A6CYP1A2CA1CA2ALDH1A1
SCHEMBL761802 0.78 LMNA (0.57) CYP2A6CYP1A2CA1CA2ALDH1A1
SCHEMBL8813198 0.76 CYP2A6 (0.46) CYP2A6CYP1A2CA1CA2ALDH1A1
SCHEMBL592175 0.75 CYP3A4 (0.67) CYP1A2CYP3A4HSD17B10TDP1
SCHEMBL1389266 0.75 ALDH1A1 (0.52) ALDH1A1CYP3A4HSD17B10TDP1LMNA
SCHEMBL1747933 0.74 CYP2A6 (0.44) CYP2A6CYP1A2CA1CA2ALDH1A1

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117945964-A Synthesis method of aryl alkyl asymmetric thioether 中国人民解放军军事科学院防化研究院 2024-04-30 CN claimed
EP-2142485-B1 METALLIC SURFACE ENHANCEMENT MACDERMID ENTHONE INC (US) 2019-07-24 EP claimed
EP-3027787-A2 ORGANIC DISULFIDE BASED CORROSION INHIBITORS Ecolab USA Inc. (US) 2016-06-08 EP claimed
CN-105431571-A Organic disulfide based corrosion inhibitors ECOLAB USA INC 2016-03-23 CN claimed
US-9238588-B2 Organic disulfide based corrosion inhibitors Ecolab USA, Inc. (US) 2016-01-19 US claimed
WO-2015179564-A1 ORGANIC ELECTROCHROMIC MATERIAL FORMULATION NEXTINT, INC. (US) 2015-11-26 WO claimed
US-20150037202-A1 ORGANIC DISULFIDE BASED CORROSION INHIBITORS NORRIS RODS, INC., 2015-02-05 US claimed
US-8703243-B2 Anti-tarnish coatings ENTHONE INC. (US) 2014-04-22 US claimed
CN-101925553-B Anti-tarnish coating ENTHONE 2014-01-15 CN claimed
CN-101743210-B Metallic surface enhancement ENTHONE 2013-04-17 CN claimed
US-20120175022-A1 ANTI-TARNISH COATINGS ENTHONE INC. (US) 2012-07-12 US claimed
US-7972655-B2 Anti-tarnish coatings ENTHONE INC. (US) 2011-07-05 US claimed
CN-101925553-A Anti-tarnish coating ENTHONE 2010-12-22 CN claimed
US-20100291303-A1 ANTI-TARNISH COATINGS ENTHONE INC. (US) 2010-11-18 US claimed
EP-2220009-A1 ANTI-TARNISH COATING Enthone, Inc. (US) 2010-08-25 EP claimed
CN-101743210-A Metal surface enhanced ENTHONE 2010-06-16 CN claimed
EP-2142485-A1 METALLIC SURFACE ENHANCEMENT Enthone, Inc. (US) 2010-01-13 EP claimed
WO-2009067446-A1 ANTI-TARNISH COATING ENTHONE INC. (US) 2009-05-28 WO claimed
WO-2008131206-A1 METALLIC SURFACE ENHANCEMENT ENTHONE INC. (US) 2008-10-30 WO claimed
US-20070098994-A1 Imaging member having sulfur-containing additive XEROX CORPORATION (US) 2007-05-03 US claimed