SCHEMBL28097569

SCHEMBL28097569

C=COC(C)=O.CCOS(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL28189860 0.86 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10
Sulfurous Acid SCHEMBL28074136 0.81 ALDH1A1 (0.35) ALDH1A1HSD17B10
SCHEMBL21776861 0.80
Ether SCHEMBL404086 0.79 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10
Alcohol SCHEMBL381890 0.78
Sulfurous Acid SCHEMBL27881474 0.78 ALDH1A1 (0.36) ALDH1A1HSD17B10
Butane SCHEMBL722315 0.78 ALDH1A1 (0.38) ALDH1A1LMNAHSD17B10
SCHEMBL1438 0.78
SCHEMBL7529535 0.78 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10
Ethyl Acetate SCHEMBL10332176 0.77 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10

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-103515648-B A kind of lithium manganate battery electrolyte 万向电动汽车有限公司 2016-09-14 CN disclosed