SCHEMBL5846733

SCHEMBL5846733

O=C=NC1CC(N=C=O)C1.O=C=NC1CCCC1N=C=O

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL26610 0.87 ALDH1A1 (0.50) ALDH1A1
SCHEMBL15010774 0.85 ALDH1A1 (0.64) ALDH1A1
SCHEMBL3950549 0.84 ALDH1A1 (0.62) ALDH1A1
SCHEMBL8619404 0.82 ALDH1A1 (0.67) ALDH1A1
SCHEMBL2584848 0.82 ALDH1A1 (0.67) ALDH1A1
SCHEMBL33061 0.82 ALDH1A1 (0.67) ALDH1A1
SCHEMBL15011622 0.82 ALDH1A1 (0.60) ALDH1A1
SCHEMBL26012 0.82 ALDH1A1 (0.57) ALDH1A1
SCHEMBL5460574 0.82 ALDH1A1 (0.57) ALDH1A1
SCHEMBL9323923 0.82 ALDH1A1 (0.57) 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-7153917-B2 (Co)polymers and method for the radical (co)polymerization of olefinically unsaturate monomers BASF COATINGS AG (DE) 2006-12-26 US disclosed