SCHEMBL9766931

SCHEMBL9766931

C1OCOCO1.C=C(CC1CO1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL184079 0.92
SCHEMBL5713286 0.92 ALDH1A1 (0.39) ALDH1A1
Ethylene SCHEMBL10456431 0.90 ALDH1A1 (0.38) ALDH1A1
SCHEMBL21630252 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL9766930 0.83 ALDH1A1 (0.33) ALDH1A1
Acrylic Acid SCHEMBL28413727 0.82 ALOX15 (0.48) ALDH1A1
Acrylic Acid SCHEMBL10886312 0.82 ALOX15 (0.48) ALDH1A1
SCHEMBL4853347 0.82 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4192797 0.81 ALDH1A1 (0.33) ALDH1A1
Acrylic Acid SCHEMBL21809394 0.81 ALOX15 (0.47) ALDH1A1

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-4983708-A Novel polyacetal copolymers of trioxane and glycidyl ester derivatives HOECHST CELANESE CORPORATION (US) 1991-01-08 US disclosed