SCHEMBL3396281

SCHEMBL3396281

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

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL2945769 0.80 ALDH1A1 (0.46) ALDH1A1
SCHEMBL4951117 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL4416067 0.78 ALOX15 (0.40)
SCHEMBL9683529 0.78 ALOX15 (0.40)
SCHEMBL20239703 0.78 ALOX15 (0.34) ALDH1A1
SCHEMBL10984229 0.77 MGAM (0.38) ALDH1A1
SCHEMBL10661649 0.77 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8649087 0.77 ALDH1A1 (0.37) ALDH1A1
Ammonia Solution, Strong SCHEMBL2587034 0.76 ALOX15 (0.39)
Ethylene Glycol SCHEMBL9068841 0.76 ALDH1A1 (0.41) ALDH1A1

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-2174909-A1 Composition comprising a layered double hydroxide Akzo Nobel N.V. (NL) 2010-04-14 EP disclosed