SCHEMBL402857

SCHEMBL402857

CC[C](CC)CC(C)CC

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37

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
SCHEMBL4654346 0.94 TSHR (0.37) TSHR
SCHEMBL22401690 0.87 TSHR (0.41) TSHR
SCHEMBL4619281 0.73
SCHEMBL4618906 0.73
SCHEMBL4655171 0.71 TSHR (0.39) TSHR
SCHEMBL33924 0.71
SCHEMBL4823214 0.71
SCHEMBL23322351 0.71
SCHEMBL21232965 0.71
SCHEMBL3633808 0.71 TSHR (0.33) TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 US disclosed
US-6495643-B1 RING OPENING POLYMERIZATION OF SUCH AS 6-METHYLENE-1,4-DITHIEPANE OPTIONALLY WITH METHYL METHACRYLATE; MINIMIZING SHRINKAGE; HIGH MOLECULAR WEIGHT; SUCH AS AMIDE, ESTER OR CARBONATE BACKBONE GROUPS; ADHESIVES, COMPOSITES, LENSES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 2002-12-17 US disclosed