SCHEMBL29043545

SCHEMBL29043545

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.30
PIK3CD O00329 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
SCHEMBL28107758 0.77 ALDH1A1 (0.37) TET2ALDH1A1
SCHEMBL27856262 0.75 ALDH1A1 (0.42) TET2ALDH1A1CYP2D6PIK3CD
SCHEMBL28156091 0.74 ALDH1A1 (0.34) TET2ALDH1A1CYP2D6PIK3CD
SCHEMBL11032460 0.73 ALDH1A1 (0.44) TET2ALDH1A1CYP2D6
SCHEMBL6891698 0.71 ALDH1A1 (0.42) TET2ALDH1A1
SCHEMBL4369859 0.71 CHRNB2 (0.33) TET2ALDH1A1
SCHEMBL28159544 0.70 ALDH1A1 (0.41) TET2ALDH1A1CYP2D6
SCHEMBL1227419 0.68 ALDH1A1 (0.39) TET2ALDH1A1
SCHEMBL11920344 0.68 ALDH1A1 (0.44) TET2ALDH1A1
SCHEMBL21373151 0.68 ALDH1A1 (0.39) TET2ALDH1A1

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-116529073-A Active energy ray-curable offset printing ink composition 阪田油墨株式会社 2023-08-01 CN disclosed