SCHEMBL13622323

SCHEMBL13622323

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

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL13256000 0.83
SCHEMBL13622322 0.81 ALDH1A1 (0.39)
SCHEMBL23181109 0.67 ALDH1A1 (0.39) TDP1
SCHEMBL14291511 0.65 TDP1 (0.36) TDP1
Methacrylic Acid SCHEMBL10494431 0.64 TDP1 (0.53) TDP1
SCHEMBL7786079 0.64
SCHEMBL295715 0.63
SCHEMBL21263777 0.63
SCHEMBL18714021 0.63
SCHEMBL295714 0.63

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
WO-2009138712-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-11-19 WO disclosed