SCHEMBL18486609

SCHEMBL18486609

CCCC(C)P(=O)(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
CYP2C19 P33261 2/20 0.39
CTSD P07339 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
GRM8 O00222 1/20 0.36
GRM4 Q14833 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL18486605 1.00 POLB (0.39) POLBCYP2C19CTSDHSD17B10KMT2A
Butane SCHEMBL3980730 0.79 HSD17B10 (0.44) POLBCTSDHSD17B10KMT2AMEN1
SCHEMBL18486615 0.76 HSD17B10 (0.42) POLBCTSDHSD17B10KMT2AMEN1
SCHEMBL18486613 0.76 HSD17B10 (0.42) POLBCTSDHSD17B10KMT2AMEN1
SCHEMBL642381 0.73 KMT2A (0.39) CTSDHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL914901 0.72 ALDH1A1 (0.48) CTSDHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL31688378 0.72 ALDH1A1 (0.48) CTSDHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL917444 0.72 ALDH1A1 (0.51) CTSDHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL31688384 0.72 ALDH1A1 (0.51) CTSDHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL30487114 0.70 HSD17B10 (0.46) POLBCTSDHSD17B10KMT2AMEN1

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-10103401-B2 Polymer electrolyte composition and polymer electrolyte membrane, polymer electrolyte membrane with catalyst layer, membrane electrode assembly, and polymer electrolyte fuel cell each using the same TORAY INDUSTRIES, INC. (JP) 2018-10-16 US disclosed
EP-3131145-B1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME TORAY INDUSTRIES (JP) 2018-09-05 EP disclosed
US-20170125832-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, POLYMER ELECTROLYTE MEMBRANE WITH CATALYST LAYER, MEMBRANE ELECTRODE ASSEMBLY, AND POLYMER ELECTROLYTE FUEL CELL EACH USING THE SAME TORAY INDUSTRIES, INC. (JP) 2017-05-04 US disclosed
EP-3131145-A1 POLYMER ELECTROLYTE COMPOSITION AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTROLYTE ASSEMBLY, AND SOLID POLYMER FUEL CELL USING SAME Toray Industries, Inc. (JP) 2017-02-15 EP disclosed