SCHEMBL798339

SCHEMBL798339

C=CC(=O)OC(C)O.C=CC(=O)OC(O)C=C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
HPGD P15428 1/20 0.31
ALDH1A1 P00352 3/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
CYP3A4 P08684 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL21630259 0.89 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10773528 0.89
SCHEMBL20730 0.89
SCHEMBL29155 0.89
Water SCHEMBL7171875 0.87
SCHEMBL2457459 0.87
Ethylene SCHEMBL2401370 0.87 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
Ammonia Solution, Strong SCHEMBL4906474 0.87 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A
Hydrochloric Acid SCHEMBL29030003 0.87
Hydrogen Peroxide SCHEMBL28304770 0.87 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A

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-1118627-B2 Weather-resistant radiation curable polyurethanes BASF SE (DE) 2011-11-16 EP claimed
EP-1118627-B1 Weather-resistant radiation curable polyurethanes BASF AG (DE) 2005-01-05 EP claimed
US-20010029272-A1 Weathering-stable, radiation-curable polyurethanes BASF AKIENGESELLSCHAFT (DE) 2001-10-11 US claimed