SCHEMBL31436722

SCHEMBL31436722

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRB P10828 1/20 0.42
TSHR P16473 7/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL28797570 0.84 THRB (0.39) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27951416 0.83 THRB (0.37) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27904632 0.82 TSHR (0.36) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL27835335 0.82 THRB (0.43) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL6420410 0.81 THRB (0.42) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL8731570 0.78 ALDH1A1 (0.52) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL7165645 0.78 ALDH1A1 (0.44) ALDH1A1TP53HIF1ACYP3A4MAPK1
Ethylene Glycol SCHEMBL9461342 0.78 ALDH1A1 (0.49) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL1898814 0.76 TSHR (0.39) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL22563728 0.76 ALDH1A1 (0.53) ALDH1A1TP53HIF1ACYP3A4MAPK1

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
CN-119585101-A Method for producing a shaped thermoplastic composite material, shaped thermoplastic composite material and system for producing a shaped thermoplastic composite material 阿科玛法国公司 2025-03-07 CN claimed