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Sugi Predict / Compounds / SCHEMBL20656641

SCHEMBL20656641

SCHEMBL20656641

CCOC(=O)OC(C)(F)F.O=C(O)O/C=C/OC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ SOAT1 P35610 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.32
▸ LMNA P02545 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL576970 0.85 ALDH1A1 (0.55) ALDH1A1SOAT1LMNAHSD17B10
SCHEMBL20656645 0.80 ALDH1A1 (0.38) ALDH1A1SOAT1HSD17B10
SCHEMBL3097554 0.76 ALDH1A1 (0.48) ALDH1A1SOAT1HCAR2LMNAHSD17B10
SCHEMBL16106189 0.76 ALDH1A1 (0.54) ALDH1A1SOAT1HCAR2LMNAHSD17B10
Bicarbonate SCHEMBL2700376 0.75 ALDH1A1 (0.48) ALDH1A1SOAT1HCAR2LMNAHSD17B10
SCHEMBL29136421 0.73 ALDH1A1 (0.55) ALDH1A1SOAT1LMNAHSD17B10
SCHEMBL20656644 0.71 ALDH1A1 (0.43) ALDH1A1SOAT1HCAR2LMNAHSD17B10
Bicarbonate SCHEMBL3105439 0.71 ALDH1A1 (0.39) ALDH1A1SOAT1HCAR2
SCHEMBL1462299 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL321036 0.71 ALDH1A1 (0.57) ALDH1A1SOAT1HCAR2LMNAHSD17B10

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
EP-2144321-B1 NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEM CORP (JP) 2019-01-23 — — EP disclosed