SCHEMBL9000177

SCHEMBL9000177

CCC(CC)(OCC(OC)OC)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
ENPP2 Q13822 4/20 0.31
FDPS P14324 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
SCHEMBL18813385 0.72 LPAR3 (0.34) FDPS
SCHEMBL8193965 0.71 FDPS (0.39) FDPS
SCHEMBL9126175 0.70 FDPS (0.38) FDPS
SCHEMBL6830149 0.69 FDPS (0.32) FDPS
SCHEMBL8722288 0.68 PPARD (0.35) FDPS
SCHEMBL9502919 0.68 FDPS (0.40) FDPS
SCHEMBL31116736 0.67 PLA2G2A (0.33) PGK1PGK2ENPP2
SCHEMBL6252620 0.67 ALDH1A1 (0.36) FDPS
SCHEMBL8717738 0.67 LPAR3 (0.33) FDPS
SCHEMBL9000188 0.67 FDPS (0.32) FDPS

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
EP-0730408-A1 TRIAZOLE PHOSPHONATE PESTICIDES AgrEvo UK Limited (GB) 1996-09-11 EP disclosed
WO-1995014385-A1 TRIAZOLE PHOSPHONATE PESTICIDES AGREVO UK LIMITED (GB) 1995-06-01 WO disclosed