SCHEMBL8708682

SCHEMBL8708682

CC(C)(C)CC(C)(C)C1(O)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2775440 0.78 ADORA3 (0.30)
SCHEMBL25277592 0.74
SCHEMBL176374 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15187736 0.71 OPRM1 (0.35) ALDH1A1
SCHEMBL595093 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL579902 0.71 OPRM1 (0.35) ALDH1A1
SCHEMBL12102903 0.70
SCHEMBL21644988 0.70
SCHEMBL4674350 0.69 ALDH1A1 (0.32) ALDH1A1
Potassium SCHEMBL9297432 0.69 OPRM1 (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-5723450-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-03-03 US disclosed