SCHEMBL9050666

SCHEMBL9050666

O=P(O)(O)OCC(CO)(CO)CO.O=P(O)(O)OCC(CO)(CO)CO.O=P(O)(O)OCC(CO)(CO)CO.OP(O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.34
S1PR3 Q99500 11/20 0.34
FBP1 P09467 1/20 0.33
S1PR4 O95977 3/20 0.32
S1PR5 Q9H228 3/20 0.32
S1PR2 O95136 2/20 0.32
TPI1 P60174 2/20 0.31
LPAR3 Q9UBY5 3/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR2 Q9HBW0 2/20 0.30
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30

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
SCHEMBL133396 0.93 FBP1 (0.37) S1PR1S1PR3FBP1S1PR4S1PR5
SCHEMBL23777275 0.93 FBP1 (0.37) S1PR1S1PR3FBP1S1PR4S1PR5
Ammonia Solution, Strong SCHEMBL5467104 0.91 S1PR1 (0.36) S1PR1S1PR3FBP1S1PR4S1PR5
Phosphoric Acid SCHEMBL3381220 0.91 S1PR1 (0.36) S1PR1S1PR3FBP1S1PR4S1PR5
SCHEMBL135753 0.88 FBP1 (0.37) S1PR1S1PR3FBP1S1PR4S1PR5
Bicarbonate SCHEMBL8151707 0.86 PGK1 (0.39) S1PR1S1PR3FBP1S1PR4S1PR5
Methyl Phosphonate SCHEMBL8740593 0.86 S1PR1 (0.37) S1PR1S1PR3FBP1S1PR4S1PR5
Hydrochloric Acid SCHEMBL4602688 0.86 S1PR1 (0.36) S1PR1S1PR3FBP1S1PR4S1PR5
Phosphonic Acid SCHEMBL8859495 0.84 S1PR1 (0.33) S1PR1S1PR3FBP1S1PR4S1PR5
SCHEMBL7695626 0.84 S1PR1 (0.33) S1PR1S1PR3FBP1S1PR4S1PR5

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
WO-1996035695-A1 PENTAERYTHRITOL PHOSPHATE ALCOHOL-CONTAINING PHOSPHONATE AND PHOSPHITE COMPOUNDS AKZO NOBEL N.V. (NL) 1996-11-14 WO claimed
US-5536862-A FLAME RETARDANTS AKZO NOBEL N.V. (NL) 1996-07-16 US claimed
WO-1996035695-A1 PENTAERYTHRITOL PHOSPHATE ALCOHOL-CONTAINING PHOSPHONATE AND PHOSPHITE COMPOUNDS AKZO NOBEL N.V. (NL) 1996-11-14 WO disclosed
US-5536862-A FLAME RETARDANTS AKZO NOBEL N.V. (NL) 1996-07-16 US disclosed