SCHEMBL21422720

SCHEMBL21422720

CN(C)S(=O)(=O)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
LMNA P02545 3/20 0.45
HCAR2 Q8TDS4 1/20 0.45
AR P10275 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ABCB1 P08183 1/20 0.43
ALOX5 P09917 1/20 0.42

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
SCHEMBL13556930 0.80 ALDH1A1 (0.60) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL20681743 0.80 ESR1 (0.49) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL7108921 0.80 ALDH1A1 (0.59) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL18679956 0.78 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL20681750 0.77 ESR1 (0.51) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL7047820 0.77 ALDH1A1 (0.55) ALDH1A1MAPTTDP1MAPK1L3MBTL1
SCHEMBL19728168 0.77 ALDH1A1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8123878 0.77 CA1 (0.60) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL26812910 0.76 ALDH1A1 (0.55) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL8276259 0.76 ABCB1 (0.56) ALDH1A1MAPTHPGDTDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3933999-A1 ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY BATTERY, MODULE AND COMPOUND DAIKIN INDUSTRIES, LTD. (JP) 2022-01-05 EP disclosed
EP-3932928-A1 COMPOUND, ELECTROLYTIC SOLUTION ADDITIVE, ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE DAIKIN INDUSTRIES, LTD. (JP) 2022-01-05 EP disclosed
EP-3920302-A1 ELECTROLYTE SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE DAIKIN INDUSTRIES, LTD. (JP) 2021-12-08 EP disclosed
EP-3764451-A1 ELECTROLYTE SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE DAIKIN INDUSTRIES, LTD. (JP) 2021-01-13 EP disclosed
EP-3761435-A1 ELECTROLYTE SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, MODULE AND COMPOUND DAIKIN INDUSTRIES, LTD. (JP) 2021-01-06 EP disclosed
WO-2019188207-A1 ELECTROLYTE SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, MODULE AND COMPOUND ダイキン工業株式会社 2019-10-03 WO disclosed