SCHEMBL1721573

SCHEMBL1721573

O=C(O)C=COC(C=CC(=O)O)(C=CC(=O)O)C(CO)(C(O)(C=CC(=O)O)C=CC(=O)O)C(C=CC(=O)O)(C=CC(=O)O)OC=CC(=O)O.OCC(CO)(CO)CO.OCC(CO)(CO)CO

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL157683 0.86 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL3356698 0.82 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL157690 0.82 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL5148476 0.82 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1746346 0.82 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Phosphoric Acid SCHEMBL2703749 0.81
SCHEMBL4243901 0.81
SCHEMBL9244672 0.77 ALDH1A1 (0.30) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL9863317 0.77 ALDH1A1 (0.31) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1011667 0.76 HCAR2 (0.31)

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
EP-1646512-B1 INK JET RECORDING MEDIUM BASF SE (DE) 2010-06-09 EP claimed
EP-3283540-A1 AQUEOUS POLYURETHANE-POLYACRYLATE DISPERSIONS Covestro Deutschland AG (DE) 2018-02-21 EP disclosed
EP-2704754-B1 HYDROPHILIC POLYURETHANE FOAM WITH LOW VOLUME SWELLING COVESTRO DEUTSCHLAND AG (DE) 2017-03-22 EP disclosed
WO-2016166096-A1 AQUEOUS POLYURETHANE-POLYACRYLATE DISPERSIONS COVESTRO DEUTSCHLAND AG (DE) 2016-10-20 WO disclosed
EP-2704754-A1 HYDROPHILIC POLYURETHANE FOAM WITH LOW VOLUME SWELLING Bayer Intellectual Property GmbH (DE) 2014-03-12 EP disclosed
WO-2012150224-A1 HYDROPHILIC POLYURETHANE FOAM WITH LOW VOLUME SWELLING BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-08 WO disclosed
EP-2406294-A1 CROSS-LINKED AQUEOUS POLYACRYLATE DISPERSION Bayer MaterialScience AG (DE) 2012-01-18 EP disclosed
WO-2010105767-A1 CROSS-LINKED AQUEOUS POLYACRYLATE DISPERSION BAYER MATERIALSCIENCE AG (DE) 2010-09-23 WO disclosed
EP-2228396-A1 Networked aqueous polyacrylate dispersion Bayer MaterialScience AG (DE) 2010-09-15 EP disclosed
US-6842544-B2 Method for apodizing a planar waveguide grating E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-01-11 US disclosed
US-20030053732-A1 Method for apodizing a planar waveguide grating ENABLENCE TECHNOLOGIES USA INC. (CA) 2003-03-20 US disclosed