SCHEMBL29130125

SCHEMBL29130125

C=C(C(=O)OC)C1COC(C)(CC(C)C)O1

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
SCHEMBL4237603 0.84 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28713142 0.82 CYP3A4 (0.31)
SCHEMBL10716759 0.79 ALDH1A1 (0.39) ALDH1A1
SCHEMBL22499895 0.78
SCHEMBL8192221 0.76 TSHR (0.37) ALDH1A1
SCHEMBL923989 0.71 ALDH1A1 (0.55) ALDH1A1
SCHEMBL21525856 0.71 CTDSP1 (0.34) ALDH1A1
SCHEMBL29989027 0.69 TSHR (0.36)
SCHEMBL4117051 0.68 CTDSP1 (0.31)
SCHEMBL1393893 0.68

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-116964228-A Composition and method for waterproofing leather 斯塔尔国际有限公司 2023-10-27 CN disclosed