SCHEMBL3977101

SCHEMBL3977101

CCCCCCCCCCNC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 6/20 0.57
S1PR4 O95977 6/20 0.57
S1PR1 P21453 6/20 0.57
S1PR3 Q99500 6/20 0.57
S1PR5 Q9H228 1/20 0.57
ANPEP P15144 1/20 0.55
ERAP2 Q6P179 1/20 0.55
LPAR3 Q9UBY5 3/20 0.52
LPAR2 Q9HBW0 1/20 0.52
FDPS P14324 5/20 0.52
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
LAP3 P28838 2/20 0.48
EPHX1 P07099 2/20 0.45

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
(Hexylamino)Methylenediphosphonic Acid SCHEMBL11773128 1.00 S1PR2 (0.57) S1PR2S1PR4S1PR1S1PR3S1PR5
(Octylamino)Methylenediphosphonic Acid SCHEMBL11793636 1.00 S1PR2 (0.57) S1PR2S1PR4S1PR1S1PR3S1PR5
(Pentylamino)Methylenediphosphonic Acid SCHEMBL6532378 0.98 S1PR2 (0.53) S1PR2S1PR4S1PR1S1PR3S1PR5
(Butylamino)Methylenediphosphonic Acid SCHEMBL7786904 0.91 MMP2 (0.48) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL17187190 0.89 S1PR2 (0.40) S1PR2S1PR4S1PR1S1PR3S1PR5
(Propylamino)Methylenediphosphonic Acid SCHEMBL8817761 0.81 MMP2 (0.50) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL1123699 0.80 FNTA (0.53) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL3976913 0.80 FNTA (0.53) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL7613205 0.80 FNTA (0.53) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL7619688 0.80 FNTA (0.53) S1PR2S1PR4S1PR1S1PR3S1PR5

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 13 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-2057303-A1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION Henkel AG & Co. KGaA (DE) 2009-05-13 EP disclosed
WO-2008022819-A1 CHROMIUM-FREE, THERMALLY CURABLE CORROSION PROTECTION COMPOSITION HENKEL AG & CO. KGAA (DE) 2008-02-28 WO 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
EP-0000930-A1 N-Carboxyalkane-aminoalkane-diphosphonic acids, N-carboxyalkane-azacycloalkane-diphosphonic acids and N-carboxyalkane-aminoarylkane diphosphonic acids, process for their preparation and their use as sequestering agents Benckiser-Knapsack GmbH (DE) 1979-03-07 EP disclosed
US-3979385-A HEAVY METAL COMPLEXING AGENTS HENKEL & CIE G.M.B.H. (DT) 1976-09-07 US disclosed