SCHEMBL19218003

SCHEMBL19218003

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 2/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL18924581 0.83 THRB (0.38) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18051631 0.76 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28064194 0.76 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23250800 0.72 THRB (0.44) TSHRALDH1A1THRB
SCHEMBL335609 0.72 THRB (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1656531 0.71 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28730584 0.70 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2741580 0.70 ALDH1A1 (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18516817 0.70 ALDH1A1 (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9055413 0.69 TSHR (0.72) TSHRHPGDALDH1A1TP53HIF1A

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-9726974-B2 Resin, photoresist composition, and method for producing photoresist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-08 US disclosed