SCHEMBL10180914

SCHEMBL10180914

C=CC(=O)Oc1cc(F)c(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.36
THRA P10827 1/20 0.36
TYMS P04818 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34
EGFR P00533 2/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MAPK1 P28482 2/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 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
SCHEMBL28510675 0.82 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7642689 0.81 THRB (0.35) THRBTHRATYMSEGFR
SCHEMBL10180753 0.79 CES2 (0.41) THRBTHRATYMSEGFRCYP4F2
SCHEMBL7417795 0.79 TSHR (0.49) THRBTHRATYMSMAPK1POLB
SCHEMBL9607776 0.79 ERN1 (0.40) THRBTHRATYMSEGFRMAPK1
SCHEMBL10314652 0.79 THRB (0.44) THRBTHRATYMSEGFRMAPK1
SCHEMBL30310524 0.78 GAA (0.42) THRBTHRATYMSEGFRCYP4F2
SCHEMBL39799 0.77 MRGPRX4 (0.42) THRBTHRATYMSMAPK1POLB
SCHEMBL29259274 0.77 PPARG (0.47) TYMSEGFRTSHR
SCHEMBL27850463 0.77 DGAT1 (0.42) TYMSMAPK1POLBTSHRRAB9A

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-110528293-A A kind of inflaming-retarding antifouling synthetic leather and preparation method thereof ZHU JIANYU 2019-12-03 CN disclosed
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