SCHEMBL11237294

SCHEMBL11237294

CCCC(CO)(CO)OP(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.46
FDPS P14324 11/20 0.41
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
GGPS1 O95749 4/20 0.33
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 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
SCHEMBL5908958 0.89 SMPD1 (0.50) SMPD1FDPSGGPS1LPAR3LPAR1
SCHEMBL5908847 0.84 SMPD1 (0.47) SMPD1FDPSS1PR1S1PR3S1PR2
SCHEMBL5908917 0.84 SMPD1 (0.47) SMPD1FDPSS1PR1S1PR3S1PR2
SCHEMBL28989094 0.82 SMPD1 (0.39) SMPD1FDPSS1PR1S1PR3S1PR2
SCHEMBL5908828 0.82 SMPD1 (0.42) SMPD1FDPSS1PR1S1PR3S1PR2
SCHEMBL5908931 0.81 SMPD1 (0.53) SMPD1FDPSGGPS1LPAR3LPAR1
SCHEMBL1285499 0.81 SMPD1 (0.53) SMPD1FDPSGGPS1LPAR3LPAR1
SCHEMBL29068451 0.79 SMPD1 (0.61) SMPD1FDPSGGPS1LPAR3LPAR1
SCHEMBL1665182 0.78 SMPD1 (0.65) SMPD1FDPSGGPS1LPAR3LPAR1
SCHEMBL5963462 0.78 SMPD1 (0.42) SMPD1FDPSS1PR1S1PR3S1PR2

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
US-4339357-A Intumescent composition GREAT LAKES CHEMICAL CORPORATION (US) 1982-07-13 US disclosed
US-4265791-A Novel phosphoric acid VELSICOL CHEMICAL CORPORATION (US) 1981-05-05 US disclosed
US-4205022-A 2,2-Bis(haloalkyl)-3-hydroxy-1-propyl phosphoric acids VELSICOL CHEMICAL CORPORATION (US) 1980-05-27 US disclosed
US-4201677-A MELAMINE DERIVATIVE, HYDROXYAMINOMETHANE PHOSPHONATE OR PHOSPHORAMIDATE VELSICOL CHEMICAL CORPORATION (US) 1980-05-06 US disclosed