SCHEMBL819957

SCHEMBL819957

CCC(CCCC(O)COCC1CO1)OC1CO1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.34
MAPK1 P28482 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
SCHEMBL820227 0.91 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL819780 0.91 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL3684427 0.86 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL820335 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL13331284 0.79 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL8458495 0.77 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL28401907 0.76 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL819929 0.75 TSHR (0.59) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL819488 0.74 TSHR (0.46) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1
SCHEMBL216984 0.72 TSHR (0.50) ALDH1A1SMN1; SMN2TDP1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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