SCHEMBL4094110

SCHEMBL4094110

CCCCCCCCCCCCCCN1CCCC1(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.50
S1PR3 Q99500 5/20 0.50
S1PR5 Q9H228 5/20 0.50
S1PR4 O95977 2/20 0.50
BCHE P06276 5/20 0.36
LPAR3 Q9UBY5 5/20 0.36
LPAR2 Q9HBW0 2/20 0.36
LPAR1 Q92633 2/20 0.33
ALOX5 P09917 1/20 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
SCHEMBL4094707 1.00 S1PR1 (0.50) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL11362357 0.78 S1PR1 (0.44) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL11362355 0.78 S1PR1 (0.44) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9287781 0.75 MAPT (0.32)
SCHEMBL10818617 0.71 L3MBTL1 (0.38) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL9281050 0.71 MAPT (0.34)
SCHEMBL15920931 0.71 S1PR1 (0.38) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL28772993 0.71 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL454182 0.71 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4BCHE
SCHEMBL10527688 0.71 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293029-B2 Colored conversion layers on metal surfaces HENKEL AG & CO. KGAA (DE) 2012-10-23 US disclosed
EP-2057303-B1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO KGAA (DE) 2012-05-23 EP disclosed
US-20090214883-A1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO. KGAA (DE) 2009-08-27 US disclosed
EP-1658392-B1 COLOUR CONVERSION LAYERS ON METAL SURFACES HENKEL KGAA (DE) 2007-03-14 EP disclosed
US-20060173099-A1 Colored conversion layers on metal surfaces HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-08-03 US disclosed
EP-1658392-A1 COLOUR CONVERSION LAYERS ON METAL SURFACES Henkel Kommanditgesellschaft auf Aktien (DE) 2006-05-24 EP disclosed
WO-2005021834-A1 COLOUR CONVERSION LAYERS ON METAL SURFACES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-03-10 WO disclosed
EP-1187883-A1 CHROMIUM-FREE ANTICORROSIVE AND ANTICORROSIVE METHOD Henkel Kommanditgesellschaft auf Aktien (DE) 2002-03-20 EP disclosed
WO-2000071626-A1 CHROMIUM-FREE ANTICORROSIVE AND ANTICORROSIVE METHOD HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-11-30 WO disclosed