SCHEMBL5026817

SCHEMBL5026817

O=P(O)(O)Cc1cc(CP(=O)(O)O)c(CP(=O)(O)O)cc1CP(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 4/20 0.68
PGK2 P07205 4/20 0.68
ACP3 P15309 1/20 0.46
PTPRB P23467 2/20 0.43
GRIN2D O15399 4/20 0.41
GRIN3B O60391 4/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
GRIN2B Q13224 4/20 0.41
GRIN2C Q14957 4/20 0.41
GRIN3A Q8TCU5 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EGFR P00533 1/20 0.39

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
SCHEMBL9164423 0.84 PGK1 (0.71) PGK1PGK2ACP3PTPRBGRIN2D
SCHEMBL9167438 0.80 ACP3 (0.62) PGK1PGK2ACP3GRIN2DGRIN3B
SCHEMBL9170269 0.78 PGK1 (0.86) PGK1PGK2ACP3PTPRBGRIN2D
SCHEMBL8824572 0.78 PGK1 (0.47) PGK1PGK2ACP3PTPRB
SCHEMBL8053801 0.77 ACP3 (0.65) PGK1PGK2ACP3GRIN2DGRIN3B
SCHEMBL3890475 0.77 PGK1 (0.55) PGK1PGK2ACP3PTPRBGRIN2D
SCHEMBL8824567 0.75 PGK1 (0.76) PGK1PGK2ACP3PTPRB
SCHEMBL3045991 0.73 PGK1 (0.52) PGK1PGK2
SCHEMBL9168389 0.71 ACP3 (0.70) PGK1PGK2ACP3GRIN2DGRIN3B
SCHEMBL11121515 0.69 PGK1 (0.52) PGK1PGK2ACP3PTPRBSMN1; SMN2

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
US-20080160356-A1 Metal-Organic Solids for Use in Proton Exchange Membranes UTI LIMITED PARTNERSHIP (CA) 2008-07-03 US disclosed
WO-2008073901-A2 METAL-ORGANIC SOLIDS FOR USE IN PROTON EXCHANGE MEMBRANES UTI LIMITED PARTNERSHIP (CA) 2008-06-19 WO disclosed