SCHEMBL28680876

SCHEMBL28680876

CCCC(CC1CO1)OCC

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.32

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 0.83 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TDP1
SCHEMBL10448589 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TDP1
SCHEMBL31520551 0.79
SCHEMBL31405838 0.79
SCHEMBL11324700 0.78 SMN1; SMN2 (0.33) ALDH1A1SMN1; SMN2TDP1
SCHEMBL11327083 0.78 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2TDP1
SCHEMBL8164308 0.78 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2TDP1
SCHEMBL11328860 0.77 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2TDP1
SCHEMBL29421081 0.76 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2TDP1
SCHEMBL14893116 0.75 SMN1; SMN2 (0.45) 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-113811553-A Activated catalyst component for olefin polymerization 格雷斯公司 2021-12-17 CN disclosed