SCHEMBL28449724

SCHEMBL28449724

CCCC(C)(C)C.O=C=NC1CCCC(N=C=O)C1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL33061 0.79 ALDH1A1 (0.67) ALDH1A1
SCHEMBL2584848 0.79 ALDH1A1 (0.67) ALDH1A1
SCHEMBL8619404 0.79 ALDH1A1 (0.67) ALDH1A1
SCHEMBL15010774 0.77 ALDH1A1 (0.64) ALDH1A1
SCHEMBL19808067 0.75 ALDH1A1 (0.68) ALDH1A1
SCHEMBL8618390 0.74 ALDH1A1 (0.75) ALDH1A1
SCHEMBL9674846 0.74 ALDH1A1 (0.45) ALDH1A1
SCHEMBL10717822 0.73 ALDH1A1 (0.48) ALDH1A1
SCHEMBL7759420 0.73 ALDH1A1 (0.48) ALDH1A1
SCHEMBL5970458 0.72 ALDH1A1 (0.80) 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
CN-111454425-A Isocyanatosilanes with thiocarbamate Structure 科思创德国股份有限公司 2020-07-28 CN disclosed