SCHEMBL4015189

SCHEMBL4015189

BrCc1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
TRPA1 O75762 1/20 0.59
TSHR P16473 1/20 0.59
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
TDP1 Q9NUW8 1/20 0.37
CALM1 P0DP23 1/20 0.32
TAAR1 Q96RJ0 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL9502154 0.82 TRPA1 (0.54) ALDH1A1TRPA1TSHRCES2CES1
SCHEMBL9608259 0.80 CALM1 (0.55) ALDH1A1TSHRTDP1CALM1
SCHEMBL759390 0.79 ALDH1A1 (0.38) ALDH1A1TSHRTDP1CALM1
SCHEMBL12762137 0.79 ALDH1A1 (0.38) ALDH1A1TSHRTDP1CALM1
SCHEMBL12017238 0.78 CALM1 (0.60) CALM1
SCHEMBL686320 0.76 TSHR (0.59) TSHRTDP1
SCHEMBL7645959 0.76 CA1 (0.35) CALM1TAAR1MAOAMAOB
SCHEMBL246109 0.76 TP53 (0.59) ALDH1A1TAAR1
SCHEMBL3190141 0.76 TSHR (0.59) TSHRTDP1
Benzyl Bromide SCHEMBL5757393 0.76 TSHR (1.00) ALDH1A1TRPA1TSHRCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534844-B2 Monomer substituted photoacid generator of fluoroalkylsulfon and a polymer thereof IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY (KR) 2009-05-19 US disclosed
EP-1848690-A1 NOVEL MONOMER SUBSTITUTED PHOTOACID GENERATOR OF FLUOROALKYLSULFON AND A POLYMER THEREOF IUCF-HYU (Industry-University Cooperation Foundation Hanyang University) (KR) 2007-10-31 EP disclosed
US-20070203312-A1 Novel Monomer Substituted Photoacid Generator Of Fluoroalkylsulfon And A Polymer Thereof IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2007-08-30 US disclosed
WO-2006088317-A1 NOVEL MONOMER SUBSTITUTED PHOTOACID GENERATOR OF FLUOROALKYLSULFON AND A POLYMER THEREOF IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2006-08-24 WO disclosed