SCHEMBL328801

SCHEMBL328801

CC(N)CC(N)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.61
SMPD1 P17405 2/20 0.42
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
ANPEP P15144 4/20 0.38
LAP3 P28838 4/20 0.38
ERAP1 Q9NZ08 1/20 0.38
ERAP2 Q6P179 1/20 0.37
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
LMNA P02545 1/20 0.34
ADRB3 P13945 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE3A Q14432 1/20 0.34

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 0.83 FDPS (0.50) FDPSSMPD1ANPEPLAP3ERAP1
Bromide SCHEMBL15397818 0.81 FDPS (0.48) FDPSSMPD1ANPEPLAP3ERAP1
SCHEMBL4103343 0.76 FDPS (1.00) FDPSALDH1A1TDP1LMNAADRB3
SCHEMBL24804413 0.76 FDPS (0.61) FDPSALDH1A1TDP1ANPEPLAP3
SCHEMBL4098647 0.73 FDPS (0.45) FDPSSMPD1LAP3GABBR2GABBR1
SCHEMBL11408293 0.71 FDPS (0.48) FDPSSMPD1ANPEPLAP3ERAP2
Phosphoric Acid SCHEMBL28858109 0.71 ALDH1A1 (0.62) FDPSALDH1A1TDP1ANPEPLAP3
Phosphoric Acid SCHEMBL9014286 0.71 ALDH1A1 (0.62) FDPSALDH1A1TDP1ANPEPLAP3
SCHEMBL457919 0.69 FDPS (0.64) FDPSSMPD1LAP3GABBR2GABBR1
SCHEMBL11327768 0.68 FDPS (0.70) FDPSSMPD1ALDH1A1ANPEPERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404144-B2 Compositions including polymerizable bisphosphonic acids and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-03-26 US disclosed
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
EP-2407142-A1 Use of polymerizable bisphosphonic acids for the treatment of tooth surfaces that are not pretreated with phosphoric acid 3M Innovative Properties Company (US) 2012-01-18 EP disclosed
US-20090075239-A1 COMPOSITIONS INCLUDING POLYMERIZABLE BISPHOSPHONIC ACIDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2009-03-19 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-1578377-A1 COMPOSITIONS INCLUDING POLYMERIZABLE BISPHOSPHONIC ACIDS AND METHODS 3M Innovative Properties Company (US) 2005-09-28 EP disclosed
US-20040206932-A1 Compositions including polymerizable bisphosphonic acids and methods 3M INNOVATIVE PROPERTIES COMPANY 2004-10-21 US disclosed
WO-2004060327-A1 COMPOSITIONS INCLUDING POLYMERIZABLE BISPHOSPHONIC ACIDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-22 WO disclosed
US-4064164-A SEQUESTERING AGENTS, ANTICARIES AGENTS, CALCIUM OR PHOSPHATE METABOLISM ABNORMALITIES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DT) 1977-12-20 US disclosed