SCHEMBL819488

SCHEMBL819488

OC(CCCCOC1CO1)COCC1CO1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
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
SCHEMBL819929 0.82 TSHR (0.59) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL27918973 0.79 TSHR (0.52) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL13327352 0.78 TSHR (0.75) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL8458495 0.78 ALDH1A1 (0.58) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL13331284 0.78 ALDH1A1 (0.66) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL820335 0.77 ALDH1A1 (0.42) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL216984 0.76 TSHR (0.50) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL28736719 0.75 ALDH1A1 (0.45) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL819957 0.74 ALDH1A1 (0.47) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL27051341 0.74 TSHR (0.48) TSHRALDH1A1TDP1SMN1; SMN2MAPK1

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