SCHEMBL3241625

SCHEMBL3241625

CCOC(CC)(OP(=O)(O)O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.34
LPAR3 Q9UBY5 4/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31

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
SCHEMBL575200 0.71 SMPD1 (0.38) SMPD1LPAR3LPAR1LPAR2
SCHEMBL1123532 0.71
SCHEMBL28981354 0.69 SMPD1 (0.39) SMPD1LPAR3LPAR1LPAR2
SCHEMBL28682199 0.68 SMPD1 (0.36) SMPD1LPAR3LPAR1LPAR2
SCHEMBL7217223 0.68 LPAR1 (0.34) LPAR3LPAR1
SCHEMBL2986850 0.68 PGK1 (0.36) SMPD1
SCHEMBL28981364 0.67 SMPD1 (0.38) SMPD1LPAR3LPAR1LPAR2
SCHEMBL6415833 0.67 SMPD1 (0.38) SMPD1LPAR3LPAR1LPAR2
SCHEMBL28981361 0.67 SMPD1 (0.38) SMPD1LPAR3LPAR1LPAR2
SCHEMBL5963992 0.65 SMPD1 (0.37) SMPD1LPAR3LPAR1LPAR2

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-1712601-B1 Phase change inks XEROX CORP (US) 2010-07-28 EP claimed
EP-1712601-B1 Phase change inks XEROX CORP (US) 2010-07-28 EP disclosed