SCHEMBL13622317

SCHEMBL13622317

C=C(O)/N=C(C(=O)OC)\C(Cl)=C(\C)N

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL13256628 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8719017 0.72
SCHEMBL9073402 0.72
SCHEMBL13256629 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13255886 0.68
SCHEMBL12786330 0.68
SCHEMBL13622322 0.67 ALDH1A1 (0.39) ALDH1A1
SCHEMBL13256639 0.66 ALDH1A1 (0.33) ALDH1A1
SCHEMBL13256633 0.64 ALDH1A1 (0.35) ALDH1A1
Carbamic Acid SCHEMBL9013721 0.64 ALDH1A1 (0.79) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009138712-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-11-19 WO disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 WO disclosed