SCHEMBL476832

SCHEMBL476832

CC(C)(C)C(O)O.CC(C)(C)C(O)O.CC(O)O.CC(O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 3/20 0.39
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL205358 0.91
Ammonia Solution, Strong SCHEMBL490795 0.86
SCHEMBL30578458 0.86
SCHEMBL22819 0.76
SCHEMBL10180 0.76
SCHEMBL1104695 0.76
SCHEMBL48111 0.74
Ammonia Solution, Strong SCHEMBL5088015 0.73
SCHEMBL2744382 0.70
SCHEMBL888909 0.70

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411398-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-01 EP disclosed
WO-2010110782-A1 METHOD FOR MANUFACTURING A BORONIC ACID ESTER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-30 WO disclosed