SCHEMBL3788787

SCHEMBL3788787

CCCCOC(CCCCCCCOP(=O)(O)O)(OCCCC)OCCCC

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 13/20 0.65
LPAR2 Q9HBW0 9/20 0.65
LPAR1 Q92633 6/20 0.65
SMPD1 P17405 3/20 0.45
LPAR5 Q9H1C0 1/20 0.43
CYP3A4 P08684 1/20 0.42
GGPS1 O95749 1/20 0.42

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
SCHEMBL942146 0.93 LPAR3 (0.58) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL9633561 0.85 LPAR3 (0.68) LPAR3LPAR2LPAR1LPAR5CYP3A4
SCHEMBL8976975 0.83 LPAR3 (0.75) LPAR3LPAR2LPAR1SMPD1LPAR5
Phosphoric Acid Monodecyl Ester SCHEMBL7651595 0.82 LPAR3 (0.95) LPAR3LPAR2LPAR1SMPD1LPAR5
Hexadecyl Dihydrogen Phosphate SCHEMBL27692367 0.82 LPAR3 (0.95) LPAR3LPAR2LPAR1SMPD1LPAR5
Phosphoric Acid Monododecyl Ester SCHEMBL28883739 0.82 LPAR3 (0.95) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL6746776 0.81 LPAR3 (0.71) LPAR3LPAR2LPAR1SMPD1LPAR5
SCHEMBL8033780 0.80 LPAR3 (1.00) LPAR3LPAR2LPAR1SMPD1LPAR5
Phosphoric Acid Monododecyl Ester SCHEMBL9316956 0.80 LPAR3 (1.00) LPAR3LPAR2LPAR1SMPD1LPAR5
Phosphoric Acid Monododecyl Ester SCHEMBL11052336 0.80 LPAR3 (1.00) LPAR3LPAR2LPAR1SMPD1LPAR5

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283277-B2 Photoactive TiO2 in coating materials BASF SE (DE) 2012-10-09 US disclosed
EP-2185662-B1 PHOTOACTIVE TIO2 IN COATING MATERIALS BASF SE (DE) 2010-12-22 EP disclosed
US-20100311572-A1 PHOTOACTIVE TIO2 IN COATING MATERIALS BASF SE (DE) 2010-12-09 US disclosed
EP-2185662-A1 PHOTOACTIVE TIO2 IN COATING MATERIALS Basf Se (DE) 2010-05-19 EP disclosed
WO-2009027432-A1 PHOTOACTIVE TIO2 IN COATING MATERIALS BASF SE (DE) 2009-03-05 WO disclosed
EP-1199341-B1 Waterbased pigment containing coating composition BASF AG (DE) 2005-04-20 EP disclosed
US-20020061940-A1 Water-based, pigmented coating compositions BASF AKTIENGESELLSCHAFT (DE) 2002-05-23 US disclosed
EP-1199341-A2 Waterbased pigment containing coating composition BASF AKTIENGESELLSCHAFT (DE) 2002-04-24 EP disclosed