SCHEMBL1789869

SCHEMBL1789869

CC(C)(OC(=O)OC(C)(C)c1c(F)cc(F)cc1F)c1c(F)cc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.41
CES1 P23141 5/20 0.41
RIPK1 Q13546 7/20 0.39
SLC6A3 Q01959 1/20 0.36
ERN1 O75460 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
GAA P10253 2/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 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
SCHEMBL1789871 0.88 CES2 (0.41) CES2CES1RIPK1SLC6A3ERN1
SCHEMBL1789282 0.78 CES2 (0.38) CES2CES1RIPK1SLC6A3KMT2A
SCHEMBL15736381 0.72 RIPK1 (0.32) CES2CES1RIPK1
SCHEMBL22938976 0.69 RIPK1 (0.40) CES2CES1RIPK1SLC6A3ERN1
SCHEMBL1790671 0.69 SMN1; SMN2 (0.46) CES2CES1KMT2ANPC1HTT
SCHEMBL1791670 0.69 ELANE (0.43) CES2CES1RIPK1ERN1GAA
SCHEMBL18242022 0.69 RIPK1 (0.38) CES2CES1RIPK1SLC6A3ERN1
SCHEMBL1793024 0.68 KCNN4 (0.51) CES2CES1RIPK1NPC1HTT
SCHEMBL28825098 0.68 CES2 (0.55) CES2CES1RIPK1GAAKMT2A
SCHEMBL679324 0.68 GAA (0.45) CES2CES1RIPK1ERN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249426-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2019-07-10 EP disclosed
US-9083058-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-14 US disclosed
US-8916298-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-12-23 US disclosed
US-8889302-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-18 US disclosed
US-8846254-B2 2014-09-30 US disclosed
US-20140134481-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2014-05-15 US disclosed
US-20120308883-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-12-06 US disclosed
US-20120219854-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
US-20110123871-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMCIAL (JP) 2011-05-26 US disclosed
EP-2249426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2010-11-10 EP disclosed