SCHEMBL3262879

SCHEMBL3262879

CCOC(=O)OC.O=C(O)OC(F)OC(=O)O.O=C(OCC(F)(F)F)OCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.37
SOAT1 P35610 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLA2G2C Q5R387 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
SCHEMBL17220631 0.87 ALDH1A1 (0.52) ALDH1A1HTTSOAT1NPC1RAB9A
SCHEMBL18628628 0.84 ALDH1A1 (0.42) ALDH1A1HTTSOAT1NPC1RAB9A
SCHEMBL2744256 0.83 HTT (0.40) ALDH1A1HTTSOAT1NPC1RAB9A
SCHEMBL18628653 0.81 ALDH1A1 (0.42) ALDH1A1SOAT1SMN1; SMN2
SCHEMBL575206 0.80 ALDH1A1 (0.62) ALDH1A1HTTSOAT1NPC1RAB9A
SCHEMBL29151831 0.78 ALDH1A1 (0.54) ALDH1A1HTTSOAT1NPC1RAB9A
Bicarbonate SCHEMBL25258593 0.78 HTT (0.52) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
Bicarbonate SCHEMBL25297596 0.78 HTT (0.52) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL308513 0.78 HTT (0.56) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
Ethyl Acetate SCHEMBL29184393 0.77 ALDH1A1 (0.52) ALDH1A1HTTSOAT1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144321-B1 NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEM CORP (JP) 2019-01-23 EP disclosed
EP-2450997-B1 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same MITSUBISHI CHEM CORP (JP) 2017-03-22 EP disclosed
EP-2144321-A1 NONAQUEOUS ELECTROLYTE FOR RECHARGEABLE BATTERY, AND RECHARGEABLE BATTERY WITH NONAQUEOUS ELECTROLYTE Mitsubishi Chemical Corporation (JP) 2010-01-13 EP disclosed