SCHEMBL3983089

SCHEMBL3983089

CCCCCCCCCCCCNCCC(N)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.68
SMPD1 P17405 2/20 0.68
S1PR2 O95136 5/20 0.56
S1PR4 O95977 5/20 0.56
S1PR1 P21453 5/20 0.56
S1PR3 Q99500 5/20 0.56
S1PR5 Q9H228 1/20 0.56
ANPEP P15144 1/20 0.50
ERAP2 Q6P179 1/20 0.50
GGPS1 O95749 5/20 0.47

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
SCHEMBL12797880 0.83 FDPS (0.56) FDPSSMPD1ANPEP
SCHEMBL11803650 0.81 FDPS (1.00) FDPSSMPD1GGPS1
SCHEMBL11329196 0.81 FDPS (1.00) FDPSSMPD1GGPS1
SCHEMBL4088168 0.81 FDPS (1.00) FDPSSMPD1GGPS1
SCHEMBL11793619 0.81 FDPS (1.00) FDPSSMPD1GGPS1
SCHEMBL11773363 0.81 FDPS (1.00) FDPSSMPD1GGPS1
SCHEMBL293180 0.81 FDPS (1.00) FDPSSMPD1GGPS1
SCHEMBL4094991 0.81 FDPS (1.00) FDPSSMPD1GGPS1
SCHEMBL4099176 0.81 FDPS (0.67) FDPSS1PR2S1PR4S1PR1S1PR3
SCHEMBL3414399 0.79 FDPS (1.00) FDPSSMPD1GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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