SCHEMBL819773

SCHEMBL819773

OC(CCC1CO1)CC1CO1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 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
SCHEMBL981080 0.87 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL820347 0.87 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL674633 0.85 ALDH1A1 (0.43) ALDH1A1
Glycerin SCHEMBL28362615 0.82 TSHR (0.36) ALDH1A1TDP1
SCHEMBL819583 0.82 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL6438635 0.81
SCHEMBL6436029 0.81
SCHEMBL990913 0.79
SCHEMBL990032 0.79
SCHEMBL3440756 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102325816-B Functionalized polyurethane polyurea dispersions BAYER MATERIALSCIENCE AG 2014-04-30 CN disclosed
US-8513334-B2 Functionalized polyurethane polyurea dispersions BAYER MATERIALSCIENCE AG (DE) 2013-08-20 US disclosed
EP-2398835-B1 FUNCTIONALIZED POLYURETHANE POLYUREA DISPERSIONS BAYER MATERIALSCIENCE AG (DE) 2012-12-19 EP disclosed
EP-2398835-A1 FUNCTIONALIZED POLYURETHANE POLYUREA DISPERSIONS Bayer MaterialScience AG (DE) 2011-12-28 EP disclosed
US-20110288204-A1 FUNCTIONALIZED POLYURETHANE POLYUREA DISPERSIONS BAYER MATERIAL SCIENCE AG (DE) 2011-11-24 US disclosed
WO-2010094417-A1 FUNCTIONALIZED POLYURETHANE POLYUREA DISPERSIONS BAYER MATERIALSCIENCE AG (DE) 2010-08-26 WO disclosed
EP-2221330-A1 Functionalised polyurethane polyuric dispersions Bayer MaterialScience AG (DE) 2010-08-25 EP disclosed