SCHEMBL29034631

SCHEMBL29034631

CCOCCOC(=O)OCCOCCOC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TSHR P16473 3/20 0.56
THRB P10828 1/20 0.48
SOAT1 P35610 1/20 0.36
HSD17B10 Q99714 4/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
EPHX2 P34913 2/20 0.32
ALOX15 P16050 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
SCHEMBL5480166 0.93 ALDH1A1 (0.62) ALDH1A1TSHRTHRBSOAT1HSD17B10
SCHEMBL5487104 0.93 ALDH1A1 (0.62) ALDH1A1TSHRTHRBSOAT1HSD17B10
SCHEMBL5478948 0.93 ALDH1A1 (0.62) ALDH1A1TSHRTHRBSOAT1HSD17B10
SCHEMBL31474558 0.93 ALDH1A1 (0.62) ALDH1A1TSHRTHRBSOAT1HSD17B10
SCHEMBL5483240 0.93 ALDH1A1 (0.62) ALDH1A1TSHRTHRBSOAT1HSD17B10
SCHEMBL1470310 0.91 ALDH1A1 (0.65) ALDH1A1TSHRTHRBSOAT1HSD17B10
SCHEMBL11416400 0.91 ALDH1A1 (0.65) ALDH1A1TSHRTHRBSOAT1HSD17B10
SCHEMBL1469988 0.91 ALDH1A1 (0.65) ALDH1A1TSHRTHRBSOAT1HSD17B10
SCHEMBL1470280 0.91 ALDH1A1 (0.65) ALDH1A1TSHRTHRBSOAT1HSD17B10
SCHEMBL1470175 0.91 ALDH1A1 (0.65) ALDH1A1TSHRTHRBSOAT1HSD17B10

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-111344891-B Nonaqueous electrolyte and energy device using same 三菱化学株式会社 2023-05-02 CN disclosed