SCHEMBL19934808

SCHEMBL19934808

C=CC(=O)OCCCCOC(=O)CC(CC(=O)O)CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.45
CACNA2D1 P54289 2/20 0.41
CACNB3 P54284 1/20 0.41
CACNA1C Q13936 1/20 0.41
PGR P06401 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
CACNA2D2 Q9NY47 1/20 0.41
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 2/20 0.36
HCAR2 Q8TDS4 3/20 0.36
ATM Q13315 1/20 0.33

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
SCHEMBL22561300 0.89 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22561285 0.85 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4889296 0.81 NAAA (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL12586033 0.81 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28349127 0.78 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4888997 0.77 CACNA2D1 (0.50) ALDH1A1CACNA2D1CACNB3CACNA1CPGR
SCHEMBL28861007 0.76 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2391946 0.75 TSHR (0.52) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4889294 0.74 NAAA (0.56) TSHRHCAR2
SCHEMBL15969817 0.74 CACNA2D1 (0.53) TSHRALDH1A1CYP3A4CACNA2D1CACNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795399-B2 UV curable adhesion promoters based on functionalised polyvinyl alcohols MERCK PATENT GMBH (DE) 2023-10-24 US disclosed
US-11795399-B2 UV curable adhesion promoters based on functionalised polyvinyl alcohols MERCK PATENT GMBH (DE) 2023-10-24 US disclosed
EP-3507343-B1 UV CURABLE ADHESION PROMOTERS BASED ON FUNCTIONALISED POLYVINYL ALCOHOLS MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
WO-2018042026-A1 UV CURABLE ADHESION PROMOTERS BASED ON FUNCTIONALISED POLYVINYL ALCOHOLS MERCK PATENT GMBH (DE) 2018-03-08 WO disclosed