SCHEMBL28512600

SCHEMBL28512600

CC(=O)C(=C=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33

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
SCHEMBL5081909 0.77 CA2 (0.35)
SCHEMBL11813888 0.77
SCHEMBL11818794 0.74 FAAH (0.32)
SCHEMBL16821 0.66
SCHEMBL16370918 0.66 LMNA (0.42) TSHRTHPO
SCHEMBL18906335 0.66
Trifluoroacetic Acid SCHEMBL28524351 0.65 TSHR (0.50) TSHRTHPO
SCHEMBL411234 0.65
Methyl Alcohol SCHEMBL28633344 0.63
Water SCHEMBL29184009 0.63 LMNA (0.39) TSHRTHPO

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-107759443-B Aryl high-iodine trifluoromethyl reagent, preparation and application thereof 东北师范大学 2021-01-22 CN disclosed