SCHEMBL20239703

SCHEMBL20239703

C=C(CC(=O)OC(=O)C(C)=C(C)C)C(=O)O.[CaH2]

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
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
SCHEMBL10352154 0.82 ALDH1A1 (0.44) ALOX15HSD17B10ALDH1A1
SCHEMBL6234776 0.78 HSD17B10 (0.44) ALOX15HSD17B10ALDH1A1
SCHEMBL27216267 0.78 HSD17B10 (0.44) ALOX15HSD17B10ALDH1A1
SCHEMBL20239785 0.78 LDHA (0.35)
SCHEMBL9683529 0.78 ALOX15 (0.40) ALOX15HSD17B10
SCHEMBL3396281 0.78 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28088694 0.77 ALOX15 (0.46) ALOX15HSD17B10ALDH1A1
SCHEMBL10984229 0.77 MGAM (0.38) ALOX15HSD17B10ALDH1A1
SCHEMBL20239804 0.76 LDHA (0.33)
Ammonia Solution, Strong SCHEMBL2587034 0.76 ALOX15 (0.39) ALOX15HSD17B10

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
US-20180163056-A1 HYDROPHILIC CURABLE COMPOSITIONS MITSUI CHEMICALS, INC. (JP) 2018-06-14 US disclosed