SCHEMBL6667949

SCHEMBL6667949

C=C(C=O)OC(=O)C(=C)C

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 4/20 0.37
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.34

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
SCHEMBL5504639 0.80 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL28170047 0.78 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL15963 0.78 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL22830359 0.76 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL31589203 0.75 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL31415277 0.75 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL31462280 0.75 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HSD17B10THRB
Hydrochloric Acid SCHEMBL17099626 0.75 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL8953021 0.75 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HSD17B10THRB
SCHEMBL27923631 0.75 ALDH1A1 (0.58) ALDH1A1TSHRTDP1HSD17B10THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1057843-B1 Aqueous emulsion, process for producing the same and aqueous paint and aqueous printing ink comprising the same NIPPON POLYURETHANE KOGYO KK (JP) 2004-09-15 EP disclosed
US-6306947-B1 Printing ink and paint composed of an aqueous emulsion of self-emulsifiable urethane copolymer NIPPON POLYURETHANE INDUSTRY CO., LTD. (JP) 2001-10-23 US disclosed
EP-1057843-A1 Aqueous emulsion, process for producing the same and aqueous paint and aqueous printing ink comprising the same NIPPON POLYURETHANE INDUSTRY CO. LTD. (JP) 2000-12-06 EP disclosed