SCHEMBL10180529

SCHEMBL10180529

C=CC(=O)Oc1ccc(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
TYMS P04818 1/20 0.39
THRB P10828 4/20 0.38
THRA P10827 1/20 0.38
EGFR P00533 2/20 0.36
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 2/20 0.31
GAA P10253 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
TGM2 P21980 1/20 0.31
BCHE P06276 1/20 0.31
KMT2A Q03164 1/20 0.30
CYP4F2 P78329 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
SCHEMBL30596845 1.00 CES2 (0.39) CES2CES1TYMSTHRBTHRA
SCHEMBL13986530 0.92 TYMS (0.43) TYMSTHRBTHRAEGFRALDH1A1
SCHEMBL9607890 0.85 TYMS (0.42) TYMSTHRBTHRAEGFRALDH1A1
SCHEMBL10180879 0.84 THRB (0.43) CES2CES1TYMSTHRBTHRA
SCHEMBL16803388 0.82 THRB (0.39) TYMSTHRBTHRAEGFRALDH1A1
SCHEMBL7642689 0.81 THRB (0.35) CES2CES1TYMSTHRBTHRA
SCHEMBL10179828 0.79 CES2 (0.41) CES2CES1TYMSTHRBTHRA
SCHEMBL20827836 0.79 TYMS (0.42) TYMSTHRBTHRAEGFRALDH1A1
SCHEMBL14659555 0.79 CES2 (0.43) CES2CES1ALDH1A1CTSLCTSS
SCHEMBL18869280 0.78 EGFR (0.38) TYMSTHRBTHRAEGFRKDM4E

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 7 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-20140309395-A1 OPTICAL FILM, RESIN MATERIAL FOR OPTICAL FILM, AND IMAGE DISPLAY DEVICE KEIO UNIVERSITY (JP) 2014-10-16 US disclosed
EP-2789634-A1 OPTICAL FILM, RESIN MATERIAL FOR OPTICAL FILM, AND IMAGE DISPLAY DEVICE Keio University (JP) 2014-10-15 EP 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