SCHEMBL5796861

SCHEMBL5796861

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

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL27415706 0.79 TSHR (0.47) TRPA1TSHR
SCHEMBL2381959 0.79 TSHR (0.47) TRPA1TSHR
SCHEMBL23943308 0.76 ALDH1A1 (0.38) TSHR
SCHEMBL17953984 0.76 ALDH1A1 (0.40)
SCHEMBL12891365 0.76 ALDH1A1 (0.40)
SCHEMBL45749 0.76
SCHEMBL1328939 0.76
SCHEMBL1782275 0.75 PTPN1 (0.35) TSHR
SCHEMBL17953985 0.75 PTPN1 (0.35) TSHR
SCHEMBL5081383 0.75 NAALAD2 (0.46) TRPA1

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
WO-2006024502-A2 METHOD FOR PRODUCING POLYMETHYL-BRANCHED OMEGA-1, OMEGA-2 OR OMEGA-3 ALCOHOLS OR KETONES, USING THE BACILLUS MEGATERIUM HYDROXYLASE SYSTEM GESELLSCHAFT FUER BIOTECHNOLOGISCHE FORSCHUNG MBH (GBF) (DE) 2006-03-09 WO disclosed