SCHEMBL776165

SCHEMBL776165

CCS(=O)(=O)C(=O)c1ccccc1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
MAPK1 P28482 1/20 0.44
HPGD P15428 2/20 0.43
MYC P01106 1/20 0.43
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL777730 0.81 HPGD (0.47) TSHRERCC5FEN1HPGDMYC
SCHEMBL776932 0.79 HPGD (0.46) TSHRERCC5FEN1HPGDMYC
SCHEMBL2806477 0.79 HPGD (0.46) TSHRERCC5FEN1HPGDMYC
SCHEMBL7451599 0.78 FLT1 (0.46) TSHRERCC5FEN1HPGDMYC
SCHEMBL20543307 0.78 MYC (0.48) TSHRERCC5FEN1MAPK1HPGD
Toluic Acid SCHEMBL28127768 0.74 ALDH1A1 (0.50) TSHRERCC5FEN1MAPK1HPGD
SCHEMBL777052 0.74 HPGD (0.46) TSHRERCC5FEN1HPGDMYC
SCHEMBL29535471 0.73 TSHR (0.80) TSHRMAPK1KMT2AALDH1A1HSD17B10
SCHEMBL1569293 0.73 TSHR (0.80) TSHRMAPK1KMT2AALDH1A1HSD17B10
SCHEMBL3629126 0.73 HPGD (0.41) TSHRERCC5FEN1HPGDMYC

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
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed