SCHEMBL28449722

SCHEMBL28449722

CC(C)(C)CCCC1(N=C=O)CCCC(N=C=O)C1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL28840185 0.85 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3416401 0.79 ALDH1A1 (0.41) ALDH1A1
SCHEMBL16628466 0.69 ALDH1A1 (0.42) ALDH1A1
SCHEMBL106677 0.67 ALDH1A1 (0.45) ALDH1A1
SCHEMBL13920839 0.65 ALDH1A1 (0.42) ALDH1A1
Methylamine SCHEMBL27496016 0.65 ALDH1A1 (0.42) ALDH1A1
SCHEMBL6052865 0.65 ALDH1A1 (0.50) ALDH1A1
SCHEMBL8038031 0.64 ALDH1A1 (0.45) ALDH1A1
SCHEMBL8520016 0.63 ALDH1A1 (0.44) ALDH1A1
SCHEMBL28449724 0.63 ALDH1A1 (0.44) 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