Pyrophosphoric Acid

Pyrophosphoric Acid

SCHEMBL27596247

CCCCCc1ccc(OCC(CO)(CO)CO)c(CCCCC)c1.O=P(O)(O)OP(=O)(O)O

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.46
S1PR3 Q99500 11/20 0.46
S1PR4 O95977 7/20 0.45
S1PR2 O95136 5/20 0.45
S1PR5 Q9H228 4/20 0.45
HTT P42858 3/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
APAF1 O14727 2/20 0.45
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAD52 P43351 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 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
SCHEMBL27796094 0.91 HTT (0.52) S1PR1S1PR3S1PR4S1PR5HTT
SCHEMBL27577980 0.89 HTT (0.51) S1PR1S1PR3S1PR4S1PR5HTT
SCHEMBL15518481 0.87 HTT (0.47) S1PR1S1PR3HTTMAPTMAPK1
Pyrophosphoric Acid SCHEMBL25343303 0.84 THRA (0.45) S1PR1S1PR3S1PR4S1PR2S1PR5
SCHEMBL21643073 0.81 S1PR1 (0.41) S1PR1S1PR3S1PR4S1PR2S1PR5
Pyrophosphoric Acid SCHEMBL472731 0.74 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR2S1PR5
SCHEMBL6480565 0.73 INPPL1 (0.44) S1PR1S1PR3S1PR4S1PR2HTT
SCHEMBL4019008 0.73 HTT (0.62) S1PR1HTTMAPTMAPK1APAF1
SCHEMBL27472499 0.72 ENPP2 (0.47) S1PR1S1PR3S1PR4S1PR2HTT
SCHEMBL4874155 0.72 THRA (0.50) THRBMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100483192-C Plastic substrate for display and display element TOSOH CORP (JP) 2009-04-29 CN disclosed
CN-1584683-A Plastic substrate for display and display element TOSOH CORP (JP) 2005-02-23 CN disclosed