SCHEMBL8601728

SCHEMBL8601728

CC(=CC=O)CC=C(C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8601726 1.00 ALDH1A1 (0.42) ALDH1A1
SCHEMBL8601724 1.00 ALDH1A1 (0.42) ALDH1A1
SCHEMBL8602141 0.79 ALDH1A1 (0.64) ALDH1A1
SCHEMBL8602146 0.79 ALDH1A1 (0.64) ALDH1A1
SCHEMBL8605046 0.77 ALDH1A1 (0.60) ALDH1A1
SCHEMBL8605047 0.77 ALDH1A1 (0.60) ALDH1A1
SCHEMBL6925729 0.73
SCHEMBL1783968 0.73
SCHEMBL1783966 0.73
SCHEMBL1634353 0.72 ALDH1A1 (0.38) 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-5710290-A Functionalized cycloaliphatic nitrile oxides THE DOW CHEMICAL COMPANY (US) 1998-01-20 US disclosed