SCHEMBL10180334

SCHEMBL10180334

O=C(Oc1c(F)cc(F)cc1F)C(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.38
CES1 P23141 8/20 0.38
ERN1 O75460 1/20 0.35
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 1/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL17662449 0.82 ELANE (0.40) CES2CES1ERN1GAAKMT2A
SCHEMBL10180694 0.79 KMT2A (0.42) CES2CES1KMT2ANPSR1L3MBTL1
SCHEMBL10180794 0.79 CES2 (0.42) CES2CES1ERN1GAAKMT2A
SCHEMBL18697364 0.78 CES2 (0.43) CES2CES1ERN1GAAKMT2A
SCHEMBL5272075 0.78 CES2 (0.43) CES2CES1ERN1GAAKMT2A
SCHEMBL376597 0.78 ERN1 (0.45) CES2CES1ERN1GAAKMT2A
SCHEMBL10179527 0.77 CYP4F2 (0.42) CES2CES1CYP4F2CYP4A11SLC6A3
SCHEMBL27488630 0.76 SLC6A3 (0.39) CES2CES1GAAKMT2ATSHR
SCHEMBL27944432 0.76 PKM (0.35) CES2CES1ERN1GAAKMT2A
SCHEMBL19546521 0.76 CES2 (0.41) CES2CES1ERN1GAAKMT2A

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
CN-104112870-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2014-10-22 CN disclosed
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed