SCHEMBL6236677

SCHEMBL6236677

CCOC(=O)CC(CC(=O)ON)(OCC)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ALDH1A1 P00352 3/20 0.35
TRPA1 O75762 1/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.33
PKM P14618 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CYP4F2 P78329 3/20 0.31
CYP4A11 Q02928 3/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL2836974 0.91 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
Ammonia Solution, Strong SCHEMBL11162445 0.89 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28982401 0.86 GAA (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5851722 0.84 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
Ammonia Solution, Strong SCHEMBL27498859 0.83 GAA (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28493053 0.83 GAA (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL93901 0.81 ALDH1A1 (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28738175 0.80 GAA (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29134171 0.80 GAA (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27669985 0.79 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005000954-A1 FLAME-RETARDANT SOOT-CONTAINING POLYURETHANE FOAMS AKZO NOBEL N.V. (NL) 2005-01-06 WO disclosed
EP-1171545-B1 FLAME RETARDANT BLEND CONTAINING MONOMERIC AND OLIGOMERIC FLAME RETARDANTS AKZO NOBEL NV (NL) 2004-02-18 EP disclosed
EP-1218433-B1 POLYURETHANE FOAM CONTAINING FLAME RETARDANT BLEND OF NON-OLIGOMERIC AND OLIGOMERIC FLAME RETARDANTS AKZO NOBEL NV (NL) 2003-08-13 EP disclosed
EP-1218433-A1 POLYURETHANE FOAM CONTAINING FLAME RETARDANT BLEND OF NON-OLIGOMERIC AND OLIGOMERIC FLAME RETARDANTS Akzo Nobel N.V. (NL) 2002-07-03 EP disclosed
EP-1171545-A1 FLAME RETARDANT BLEND CONTAINING MONOMERIC AND OLIGOMERIC FLAME RETARDANTS Akzo Nobel N.V. (NL) 2002-01-16 EP disclosed
WO-2001018088-A1 POLYURETHANE FOAM CONTAINING FLAME RETARDANT BLEND OF NON-OLIGOMERIC AND OLIGOMERIC FLAME RETARDANTS AKZO NOBEL N.V. (NL) 2001-03-15 WO disclosed
WO-2000061700-A1 FLAME RETARDANT BLEND CONTAINING MONOMERIC AND OLIGOMERIC FLAME RETARDANTS AKZO NOBEL N.V. (NL) 2000-10-19 WO disclosed
US-4476930-A A NITROGEN-CONTAINING SALT TO PREVENT DEPOSITION UNION OIL COMPANY OF CALIFORNIA (US) 1984-10-16 US disclosed
US-4394330-A Phosphonate derivatives of polyalkylene polyamines as flame retardants STAUFFER CHEMICAL COMPANY (US) 1983-07-19 US disclosed
US-4163767-A MIXED PHOSPHITE-PHOSPHONATE POLYMER FLAME RETARDANT, INTERMEDIATES FOR THE PREPARATION OF SELF-EXTINGUISHING FLEXIBLE POLYURETHANE FOAMS STAUFFER CHEMICAL COMPANY (US) 1979-08-07 US disclosed
US-4092377-A TRANSESTERIFYING A TERTIARY PHOSPHITE WITH A POLYALKYLENE GLYCOL, REARRANGEMENT BY HEAT STAUFFER CHEMICAL COMPANY (US) 1978-05-30 US disclosed
US-4036789-A FLAME RETARDENT STAUFFER CHEMICAL COMPANY (US) 1977-07-19 US disclosed
US-3996313-A Halogen containing phosphorus monools BORG-WARNER CORPORATION (US) 1976-12-07 US disclosed
US-3989652-A Polyalkylene glycol alkyl or haloalkyl polyphosphonates used as flame retardants in polyurethane foam STAUFFER CHEMICAL COMPANY (US) 1976-11-02 US disclosed
US-3986990-A FLAME RETARDANT POLYURETHANE FOAM CONTAINING POLYALKYLENE GLYCOL ALKYL POLY-PHOSPHITES STAUFFER CHEMICAL COMPANY (US) 1976-10-19 US disclosed
US-3956200-A POLYGLYCOL HYDROGEN POLYPHOSPHONATE STAUFFER CHEMICAL COMPANY (US) 1976-05-11 US disclosed
US-3933696-A Polyalkylene glycol poly-phosphorus compounds in polyurethane foams STAUFFER CHEMICAL COMPANY (US) 1976-01-20 US disclosed