SCHEMBL18924581

SCHEMBL18924581

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
TSHR P16473 6/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL22248497 0.85 NAAA (0.34)
SCHEMBL19218003 0.83 TSHR (0.36) THRBTSHRHPGDALDH1A1TP53
SCHEMBL19830209 0.80
SCHEMBL24186302 0.79
SCHEMBL18923205 0.78
SCHEMBL22242604 0.76
SCHEMBL1656531 0.72 TSHR (0.57) THRBTSHRHPGDALDH1A1TP53
SCHEMBL28064194 0.71 TSHR (0.40) THRBTSHRHPGDALDH1A1TP53
SCHEMBL1656040 0.70 TSHR (0.75) THRBTSHRHPGDALDH1A1TP53
SCHEMBL1656344 0.69 TSHR (0.50) THRBTSHRHPGDALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9671692-B2 Compound, resin and photoresist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-06 US disclosed