SCHEMBL28029664

SCHEMBL28029664

CCC=CC=CS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
NPC1 O15118 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PPARA Q07869 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
SCHEMBL2379557 0.81
SCHEMBL3249279 0.81
SCHEMBL4289395 0.79
SCHEMBL8035675 0.79 TRPA1 (0.46) TRPA1NPC1S1PR2S1PR4ALDH1A1
SCHEMBL4289390 0.79
SCHEMBL1282735 0.78 ALDH1A1 (0.45) NPC1S1PR2S1PR4ALDH1A1LMNA
SCHEMBL1282733 0.78 ALDH1A1 (0.45) NPC1S1PR2S1PR4ALDH1A1LMNA
SCHEMBL27270867 0.75 TRPA1 (0.42) TRPA1NPC1S1PR2S1PR4ALDH1A1
SCHEMBL28507299 0.74 FASN (0.55) ALDH1A1PPARA
SCHEMBL93753 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105009346-B Electrolyte for lithium secondary battery and the lithium secondary battery comprising it SK新技术株式会社 2018-04-20 CN disclosed
CN-105428713-A Electrolyte for Lithium Secondary Battery and Lithium Secondary Battery Containing the Same SK INNOVATION CO LTD 2016-03-23 CN disclosed
CN-105406126-A Electrolyte For Lithium Secondary Battery And Lithium Secondary Battery Containing The Same SK INNOVATION CO LTD 2016-03-16 CN disclosed
CN-105359326-A Lithium secondary battery electrolyte and lithium secondary battery including same SK INNOVATION CO LTD 2016-02-24 CN disclosed
CN-105009346-A ELECTROLYTE FOR LITHIUM SECONDARY BATTERY, AND LITHIUM SECONDARY BATTERY INCLUDING SAME SK INNOVATION CO LTD 2015-10-28 CN disclosed