SCHEMBL5799147

SCHEMBL5799147

CCC(C)(O)CC(C)CC(C)CC(C)CO

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
TRPA1 O75762 2/20 0.31

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
SCHEMBL5907194 0.87 TSHR (0.40) TSHR
SCHEMBL9954518 0.75 TSHR (0.32) TSHR
SCHEMBL13559118 0.75 TSHR (0.36) TSHRTRPA1
SCHEMBL8605479 0.74 ALDH1A1 (0.34) TSHRTRPA1
SCHEMBL27415706 0.74 TSHR (0.47) TSHRTRPA1
SCHEMBL2381959 0.74 TSHR (0.47) TSHRTRPA1
SCHEMBL26105237 0.71 TSHR (0.44) TSHR
SCHEMBL45749 0.71
SCHEMBL1328939 0.71
SCHEMBL16074687 0.70 TSHR (0.36) TSHRTRPA1

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