SCHEMBL18486644

SCHEMBL18486644

CCCC(=O)[C@@]1(n2cnc3c(N)ncnc32)O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 4/20 0.54
P2RX3 P56373 4/20 0.54
P2RX4 Q99571 3/20 0.54
P2RX2 Q9UBL9 2/20 0.53
P2RY1 P47900 3/20 0.51
P2RY2 P41231 3/20 0.51
SRC P12931 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RNASEL Q05823 1/20 0.50
ENTPD1 P49961 1/20 0.49
MACROD2 A1Z1Q3 1/20 0.48
SIRT6 Q8N6T7 1/20 0.48
MACROD1 Q9BQ69 1/20 0.48
TRPM2 O94759 1/20 0.48

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
SCHEMBL18486587 0.99 P2RX1 (0.55) P2RX1P2RX3P2RX4P2RX2P2RY1
Pyrophosphoric Acid SCHEMBL18486634 0.89 ADORA1 (0.47) P2RX1P2RX3P2RX4P2RX2P2RY1
Phosphoric Acid SCHEMBL18486577 0.85 ADORA1 (0.45) P2RY1P2RY2SRCSMN1; SMN2TRPM2
SCHEMBL14687996 0.84 P2RX3 (0.57) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL5334841 0.84 P2RX1 (0.56) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL30777206 0.83 P2RX1 (0.61) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL28390621 0.83 P2RX1 (0.61) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL8435892 0.83 P2RX1 (0.57) P2RX1P2RX3P2RX4P2RX2P2RY1
SCHEMBL6536153 0.83 PI4KA (0.46) SMN1; SMN2
SCHEMBL1085901 0.83 P2RX1 (0.59) P2RX1P2RX3P2RX4P2RX2P2RY1

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