SCHEMBL28601117

SCHEMBL28601117

CCCC(CC1CO1)CC(CC1CO1)OC(CC(CCC)CC1CO1)CC1CO1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL2331883 0.87 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TDP1
SCHEMBL27507020 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TDP1
SCHEMBL2395825 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TDP1
SCHEMBL3238846 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TDP1
Water SCHEMBL5178814 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TDP1
SCHEMBL6925925 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TDP1
SCHEMBL2397179 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TDP1
SCHEMBL3231987 0.76 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TDP1
SCHEMBL3241128 0.76 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TDP1
SCHEMBL3241157 0.76 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TDP1

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-107488259-B Epoxy resin composition comprising AM-CPDA as curing agent 赢创运营有限公司 2021-08-03 CN disclosed