SCHEMBL4098647

SCHEMBL4098647

CCNC(C)CC(N)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.45
SMPD1 P17405 2/20 0.40
LMNA P02545 1/20 0.33
ADRB3 P13945 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3A Q14432 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
LAP3 P28838 1/20 0.30

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
SCHEMBL15397900 0.74 FDPS (0.50) FDPSSMPD1LMNAADRB3PDE4D
Bromide SCHEMBL15397818 0.73 FDPS (0.48) FDPSSMPD1LMNAADRB3PDE4D
SCHEMBL328801 0.73 FDPS (0.61) FDPSSMPD1LMNAADRB3PDE4D
Phosphoric Acid SCHEMBL1860641 0.71 LAP3 (0.41) MMP1MMP2MMP3LAP3
SCHEMBL11408293 0.68 FDPS (0.48) FDPSSMPD1LAP3
SCHEMBL457919 0.67 FDPS (0.64) FDPSSMPD1LMNAADRB3PDE4D
SCHEMBL24179430 0.65 SIGMAR1 (0.37) LMNA
SCHEMBL17282083 0.65 SIGMAR1 (0.37) LMNA
SCHEMBL6943089 0.64
SCHEMBL20225473 0.64

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 6 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
US-4064164-A SEQUESTERING AGENTS, ANTICARIES AGENTS, CALCIUM OR PHOSPHATE METABOLISM ABNORMALITIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DT) 1977-12-20 US disclosed