SCHEMBL29130139

SCHEMBL29130139

CC(C(=O)O)=C(CC(C)O)C(C)O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13372796 0.79 TP53 (0.39) TP53ALDH1A1TDP1
SCHEMBL8669803 0.76 TDP1 (0.36) TP53ALDH1A1TDP1
SCHEMBL3272877 0.76 TDP1 (0.36) TP53ALDH1A1TDP1
SCHEMBL449035 0.76 TDP1 (0.36) TP53ALDH1A1TDP1
SCHEMBL3689722 0.73 ALDH1A1 (0.33) TP53ALDH1A1TDP1
SCHEMBL27755729 0.73 ALDH1A1 (0.33) TP53ALDH1A1TDP1
SCHEMBL5104397 0.73 ALDH1A1 (0.39) TP53ALDH1A1TDP1
SCHEMBL445325 0.73 ALDH1A1 (0.33) TP53ALDH1A1TDP1
Hydrochloric Acid SCHEMBL16236601 0.71 ALDH1A1 (0.37) TP53ALDH1A1TDP1
SCHEMBL5073159 0.70 FNTA (0.56) ALDH1A1TDP1

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