SCHEMBL698563

SCHEMBL698563

CC(C)(O)C(C)(C)OB(O)C1CC=CCO1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL15210831 0.75
SCHEMBL118435 0.66
SCHEMBL670662 0.63
SCHEMBL16498878 0.62
SCHEMBL16432080 0.61
SCHEMBL16991930 0.60
SCHEMBL194317 0.59 THRB (0.30)
SCHEMBL17652176 0.59
Benzene SCHEMBL19952997 0.59
SCHEMBL18398447 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791266-B2 Thyroid hormone β receptor agonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-07-29 US disclosed
US-8748620-B2 2014-06-10 US disclosed
EP-2423194-B1 NOVEL THYROID HORMONE BETA RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORP (JP) 2014-04-16 EP disclosed
US-20120129812-A1 NOVEL THYROID HORMONE BETA RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-24 US disclosed
EP-2423194-A1 NOVEL THYROID HORMONE beta RECEPTOR AGONIST Mitsubishi Tanabe Pharma Corporation (JP) 2012-02-29 EP disclosed