SCHEMBL23174693

SCHEMBL23174693

C=CC(=O)OC(CCO)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.41
ALDH1A1 P00352 4/20 0.36
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9720362 0.85 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27695890 0.85 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1405779 0.82 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5373230 0.81 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL465670 0.81 TSHR (0.44) TSHRHPGD
SCHEMBL13211607 0.80 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28390910 0.80 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28391986 0.80 TSHR (0.43) TSHRHPGD
SCHEMBL28195499 0.80 TSHR (0.43) TSHRHPGD
SCHEMBL555148 0.79 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4

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
WO-2021065457-A1 BINDER COMPOSITION FOR SECONDARY BATTERIES, SLURRY COMPOSITION FOR SECONDARY BATTERY ELECTRODES, ELECTRODE FOR SECONDARY BATTERIES, AND SECONDARY BATTERY 日本ゼオン株式会社 2021-04-08 WO disclosed