SCHEMBL12857950

SCHEMBL12857950

CCC(C)(C(F)(F)F)C(F)(F)[C@@](C)(CC)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32

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
SCHEMBL13466017 1.00 THRB (0.32) THRB
SCHEMBL16285652 0.85 THRB (0.41) THRB
SCHEMBL18102342 0.81 THRB (0.33) THRB
SCHEMBL15185179 0.81 THRB (0.33) THRB
SCHEMBL800011 0.80 ALDH1A1 (0.36) THRB
SCHEMBL12002421 0.79 ALDH1A1 (0.32)
SCHEMBL15747204 0.79
SCHEMBL15427365 0.76 THRB (0.41) THRB
SCHEMBL15281753 0.76 THRB (0.41) THRB
SCHEMBL14316906 0.74 TSHR (0.32)

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
EP-2283917-A2 Device and method for pressure-driven plug transport and reaction The University of Chicago (US) 2011-02-16 EP disclosed