SCHEMBL28111166

SCHEMBL28111166

CC(C)(C)C(C)(CCC(=O)OOC(=O)CCC(C)(C(C)(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
GAA P10253 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
SCHEMBL3019982 0.83 TSHR (0.31) TSHR
SCHEMBL1116614 0.79 DGKA (0.35) TSHR
SCHEMBL27651457 0.74 NAALAD2 (0.46) TSHR
SCHEMBL4461667 0.73 DGKA (0.50) TSHR
SCHEMBL19452723 0.69 HTT (0.32)
SCHEMBL8998662 0.69
SCHEMBL142540 0.67 TSHR (0.35) TSHR
SCHEMBL21001238 0.67 DGKA (0.39) TSHRGAA
SCHEMBL3497531 0.67 TSHR (0.39) TSHR
SCHEMBL442266 0.64 ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106133039-A Heat-swellable compositions 汉高股份有限及两合公司 2016-11-16 CN disclosed