SCHEMBL25525754

SCHEMBL25525754

C=C(C)C(=O)OCC(=O)CC(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
MGAM O43451 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
THRB P10828 1/20 0.47
TSHR P16473 4/20 0.42
ALDH1A1 P00352 6/20 0.40
MAPT P10636 1/20 0.38
TRPA1 O75762 1/20 0.38
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
GLO1 Q04760 1/20 0.33
CYP1A2 P05177 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
SCHEMBL1131192 0.84 THRB (0.53) GAAMGAMSIMGAM2THRB
SCHEMBL20100418 0.82 THRB (0.52) GAAMGAMSIMGAM2THRB
SCHEMBL561195 0.80 GAA (0.58) GAAMGAMSIMGAM2TSHR
SCHEMBL1087310 0.80 TSHR (0.47) GAAMGAMSIMGAM2THRB
Malonic Acid Diethyl Ester SCHEMBL28004207 0.80 GAA (0.79) GAAMGAMSIMGAM2THRB
Methyl Alcohol SCHEMBL10632152 0.79 GAA (0.56) GAAMGAMSIMGAM2TSHR
SCHEMBL1171553 0.79 TSHR (0.45) GAAMGAMSIMGAM2THRB
SCHEMBL1389356 0.78 THRB (0.50) GAAMGAMSIMGAM2THRB
SCHEMBL19409375 0.77 THRB (0.64) GAAMGAMSIMGAM2THRB
SCHEMBL15030 0.77

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-20230174804-A1 Aqueous Resin Based Inkjet Ink AGFA NV (BE) 2023-06-08 US disclosed
US-20230174804-A1 Aqueous Resin Based Inkjet Ink AGFA NV (BE) 2023-06-08 US disclosed
US-20230167319-A1 Fluid Set for Inkjet Printing AGFA NV (BE) 2023-06-01 US disclosed
US-20230167319-A1 Fluid Set for Inkjet Printing AGFA NV (BE) 2023-06-01 US disclosed