SCHEMBL9729431

SCHEMBL9729431

O=C(F)C(F)(F)C(F)(Br)C(F)(F)F

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
SCHEMBL10485868 0.78
SCHEMBL428729 0.76 THRB (0.36) THRB
SCHEMBL28143674 0.76 THRB (0.36) THRB
SCHEMBL37654 0.75 THRB (0.33) THRB
SCHEMBL999873 0.73 THRB (0.35) THRB
Hydrogen Peroxide SCHEMBL22401584 0.73 THRB (0.41) THRB
SCHEMBL9728316 0.73 LMNA (0.36) THRB
SCHEMBL4858511 0.72
SCHEMBL6280420 0.72
SCHEMBL4853503 0.71

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
US-5117055-A Method for direct conversion of fluorocarbonyl group into halogenides AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1992-05-26 US disclosed