SCHEMBL22561244

SCHEMBL22561244

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.40
HCAR2 Q8TDS4 3/20 0.39
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 2/20 0.36
NAAA Q02083 1/20 0.36
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL22561300 0.83 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL31742397 0.79 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL11527670 0.78 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL26765920 0.77 NAAA (0.60) TSHRATMHCAR2NAAAMAPT
SCHEMBL26523175 0.77 TSHR (0.60) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL11528674 0.76 TSHR (0.64) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL12586033 0.74 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL271812 0.74 TSHR (0.64) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL2610332 0.74 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL13777750 0.73 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4ATM

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 2 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
EP-3507343-B1 UV CURABLE ADHESION PROMOTERS BASED ON FUNCTIONALISED POLYVINYL ALCOHOLS MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed