SCHEMBL6454040

SCHEMBL6454040

CCC(CP(=O)(O)O)C(N)(N)C(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 1/20 0.39
FDPS P14324 8/20 0.36
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
SMPD1 P17405 4/20 0.32
GRM4 Q14833 1/20 0.32
METAP1 P53582 1/20 0.31

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
SCHEMBL8470467 0.71 FDPS (0.44) LAP3FDPSGABBR2GABBR1SMPD1
SCHEMBL8331978 0.67 FDPS (0.53) LAP3FDPSSMPD1
SCHEMBL2992910 0.65 LAP3 (0.34) LAP3
SCHEMBL19211970 0.65 LAP3 (0.40) LAP3FDPS
SCHEMBL745688 0.63
SCHEMBL7961190 0.62 LAP3 (0.48) LAP3FDPSGABBR2GABBR1METAP1
SCHEMBL14818491 0.61 LAP3 (0.54) LAP3GABBR2GABBR1METAP1
SCHEMBL19212003 0.61 LAP3 (0.42) LAP3FDPSGABBR2GABBR1METAP1
SCHEMBL7952705 0.60
SCHEMBL31612460 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050039266-A1 Particulate composition comprising dye fixatives CIBA SPECIALTY CHEMICAS CORP. 2005-02-24 US disclosed
EP-1472333-A1 PARTICULATE COMPOSITION COMPRISING DYE FIXATIVES Ciba SC Holding AG (CH) 2004-11-03 EP disclosed
WO-2003057815-A1 PARTICULATE COMPOSITION COMPRISING DYE FIXATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-07-17 WO disclosed