SCHEMBL16216742

SCHEMBL16216742

COc1cc(CO)c(P(c2c(CO)cc(OC)cc2OC)c2c(OC)cc(CO)cc2OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ MAPT P10636 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CALM1 P0DP23 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.34
▸ PTPN1 P18031 2/20 0.34
▸ DAO P14920 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE3B Q13370 1/20 0.33

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
SCHEMBL5528933 0.98 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL180252 0.77 ALDH1A1 (0.50) MAPTCYP1A2HSD17B10TSHR
SCHEMBL31325535 0.75 ALDH1A1 (0.48) MAPTCYP1A2HSD17B10TSHR
Bromide SCHEMBL20424457 0.75 ALDH1A1 (0.48) MAPTCYP1A2HSD17B10TSHR
SCHEMBL205231 0.74 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL15094975 0.72 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL3833937 0.71 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL18362599 0.71 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL643649 0.71 CYP1A2 (0.62) PDE4APDE4BPDE4CPDE4DMAPT
Acetic Acid SCHEMBL4282570 0.71 CYP3A4 (0.50) CYP1A2HSD17B10PTPN1

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
US-9685674-B2 Polymer electrolyte composition, and polymer electrolyte membrane, membrane electrode assembly and solid polymer fuel cell each using same TORAY INDUSTRIES, INC. (JP) 2017-06-20 — — US 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
US-20170033387-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 CELLCENTRIC GMBH & CO. KG (DE) 2017-02-02 — — US disclosed
US-20140377686-A1 POLYMER ELECTROLYTE COMPOSITION, AND POLYMER ELECTROLYTE MEMBRANE, MEMBRANE ELECTRODE ASSEMBLY AND SOLID POLYMER FUEL CELL EACH USING SAME TORAY INDUSTRIES, INC. (JP) 2014-12-25 — — US disclosed
US-20140326611-A1 MEMBRANES AND CATALYSTS FOR FUEL CELLS, GAS SEPARATION CELLS, ELECTROLYZERS AND SOLAR HYDROGEN APPLICATIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2014-11-06 — — US disclosed
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