Pyrophosphoric Acid

Pyrophosphoric Acid

SCHEMBL28816733

CCCCCCCCCCCCCCCCC(c1cc(C(C)(C)C)c(O)cc1C)c1cc(C(C)(C)C)c(O)cc1C.O=P(O)(O)OP(=O)(O)O

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.62
TP53 P04637 2/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
SMPD1 P17405 3/20 0.37
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FDPS P14324 4/20 0.33
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL11577973 0.89 ALOX15 (0.78) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL5710085 0.89 ALOX15 (0.78) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL5086034 0.89 ALOX15 (0.78) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL30804627 0.89 ALOX15 (0.78) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL9226764 0.85 ALOX15 (0.72) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL30403625 0.85 ALOX15 (0.72) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL29775295 0.84 ALOX15 (0.67) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL29351836 0.84 ALOX15 (0.67) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL13840637 0.84 ALOX15 (0.82) ALOX15TP53CYP2D6CYP2C9CYP2C19
SCHEMBL78245 0.79 CYP2C9 (0.79) ALOX15TP53CYP2D6CYP2C9CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104231950-A ADHESIVE LAYER FOR OPTICAL APPLICATIONS, ADHESIVE LAYER-ATTACHED OPTICAL FILM AND IMAGE DISPLAY DEVICE NITTO DENKO CORP 2014-12-24 CN disclosed