SCHEMBL22561250

SCHEMBL22561250

C=CC(=O)OCCCCOC(=O)C(CCCC)CCCCCC(CCCC)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.57
HPGD P15428 1/20 0.57
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
HCAR2 Q8TDS4 3/20 0.44
CA2 P00918 3/20 0.44
MAPK1 P28482 1/20 0.44
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
ATM Q13315 1/20 0.40
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
SLC1A3 P43003 1/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CA1 P00915 1/20 0.37

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
SCHEMBL27887847 0.93 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL25865339 0.91 TSHR (0.64) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL19934884 0.89 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4HCAR2
2-Ethylhexanoic Acid SCHEMBL27664726 0.85 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL8815479 0.85 GRIK1 (0.53) TSHRHCAR2CA2MAPK1GRIK1
SCHEMBL8665338 0.84 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL23581478 0.81 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL21694364 0.81 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL21694377 0.81 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL31448297 0.81 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2

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
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