SCHEMBL10179828

SCHEMBL10179828

C=CC(=O)Oc1c(F)ccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
THRB P10828 4/20 0.39
THRA P10827 1/20 0.33
TGM2 P21980 1/20 0.32
BCHE P06276 1/20 0.31
TYMS P04818 1/20 0.31
MEP1B Q16820 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 2/20 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
SCHEMBL5690942 0.82 KMT2A (0.41) CES2CES1THRBTHRABCHE
SCHEMBL7887146 0.82 THRB (0.40) CES2CES1THRBTHRAALDH1A1
SCHEMBL12473728 0.81 THRB (0.40) THRBTHRATGM2MEP1B
SCHEMBL30596845 0.79 CES2 (0.39) CES2CES1THRBTHRATGM2
SCHEMBL10180529 0.79 CES2 (0.39) CES2CES1THRBTHRATGM2
SCHEMBL2579041 0.79 THRB (0.41) THRBTHRAALDH1A1
SCHEMBL28049171 0.77 NFE2L2 (0.41) EGFR
SCHEMBL225748 0.77 THRB (0.40) THRBTHRAALDH1A1
SCHEMBL28133169 0.75 KDM4E (0.39) CES2CES1THRBTHRAALDH1A1
SCHEMBL28910060 0.75 HPGD (0.40) THRBALDH1A1

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-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
CN-102484281-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2012-05-30 CN disclosed