SCHEMBL4965801

SCHEMBL4965801

O=S(=O)(O)c1cc(-c2cc(S(=O)(=O)O)c(F)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.34
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
TTR P02766 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
TSHR P16473 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HIF1A Q16665 1/20 0.31
RAPGEF4 Q8WZA2 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
SCHEMBL4968560 0.91 HSD17B10 (0.40) TET2HSD17B10TDP1ALDH1A1CASP1
SCHEMBL16603739 0.87 BCL2L1 (0.42) CA1CA2
SCHEMBL5126356 0.81 LCK (0.44) TET2HSD17B10TDP1ALDH1A1LCK
SCHEMBL4966336 0.79 HSD17B10 (0.60) HSD17B10TDP1ALDH1A1CASP1CASP7
SCHEMBL5539966 0.78 HSD17B10 (0.45) HSD17B10TDP1ALDH1A1CASP1CASP7
SCHEMBL19190632 0.77 LCK (0.37) TET2HSD17B10TDP1ALDH1A1CASP1
SCHEMBL4968224 0.76 MYC (0.36) HSD17B10TDP1ALDH1A1CASP1CASP7
SCHEMBL4553485 0.75 TET2 (0.41) TET2
SCHEMBL29571087 0.74 CA1 (0.39) TET2CA1CA2CA12CA7
SCHEMBL4453156 0.74 CA1 (0.39) TET2CA1CA2CA12CA7

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-8496835-B2 Anion-exchange displacement chromatography process and anionic organic compounds for use as displacer compounds in anion-exchange displacement chromatography process SACHEM, INC. (US) 2013-07-30 US disclosed
EP-1960078-A2 ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS AND ANIONIC ORGANIC COMPOUNDS FOR USE AS DISPLACER COMPOUNDS IN ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS Sachem, Inc. (US) 2008-08-27 EP disclosed
WO-2007064809-A2 ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS AND ANIONIC ORGANIC COMPOUNDS FOR USE AS DISPLACER COMPOUNDS IN ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS SACHEM, INC. (US) 2007-06-07 WO disclosed
US-20070125712-A1 ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS AND ANIONIC ORGANIC COMPOUNDS FOR USE AS DISPLACER COMPOUNDS IN ANION-EXCHANGE DISPLACEMENT CHROMATOGRAPHY PROCESS PNC BANK, NATIONAL ASSOCIATION 2007-06-07 US disclosed