SCHEMBL9804451

SCHEMBL9804451

C=C(C)C(=O)OC1CC(C)CC(C)C1C

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 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
SCHEMBL23494169 0.91 ALDH1A1 (0.38) ALDH1A1
SCHEMBL23494080 0.85 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3060954 0.82 ALDH1A1 (0.44) ALDH1A1
SCHEMBL8775683 0.80 ALDH1A1 (0.35) ALDH1A1
SCHEMBL354852 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL465418 0.79 ALDH1A1 (0.34) ALDH1A1
SCHEMBL23494009 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL23576342 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL23576343 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18923166 0.76 ALDH1A1 (0.34) 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-5061518-A TEMPORARY ROHM GMBH (DE) 1991-10-29 US disclosed