SCHEMBL19590906

SCHEMBL19590906

CC(C)C(C)C(C)C(C)C(C)CN

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL21137661 0.97 ALDH1A1 (0.39) ALDH1A1
SCHEMBL31333166 0.90 ALDH1A1 (0.44) ALDH1A1
SCHEMBL31333172 0.90 ALDH1A1 (0.44) ALDH1A1
SCHEMBL31333164 0.90 ALDH1A1 (0.44) ALDH1A1
SCHEMBL31333177 0.90 ALDH1A1 (0.44) ALDH1A1
SCHEMBL23284379 0.87
SCHEMBL18594504 0.87
SCHEMBL3838279 0.87
SCHEMBL16690993 0.87 ALDH1A1 (0.47) ALDH1A1
SCHEMBL7892887 0.79

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-9818588-B2 Method and arrangement for the control of measuring systems, corresponding computer program and corresponding computer-readable storage medium THERMO FISHER SCIENTIFIC (BREMEN) GMBH (DE) 2017-11-14 US disclosed