SCHEMBL28116628

SCHEMBL28116628

C=C(C)C(=O)OC(F)(F)C(F)CC(F)(F)F.O=S(=O)(O)OOS(=O)(=O)O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL216127 0.89 TSHR (0.36) TSHR
Alcohol SCHEMBL28215508 0.85 TSHR (0.33) TSHR
Methacrylic Acid SCHEMBL28063227 0.85 TSHR (0.33) TSHR
SCHEMBL29019014 0.84 ALDH1A1 (0.47) TSHR
Acrylic Acid SCHEMBL28280460 0.81 TSHR (0.31) TSHR
SCHEMBL31155812 0.80 TSHR (0.30) TSHR
Lithium Ion SCHEMBL28343514 0.79
SCHEMBL28678100 0.78 HTT (0.37) TSHR
SCHEMBL31207809 0.76
SCHEMBL9317634 0.75 ALDH1A1 (0.38) 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-106279506-A A kind of acrylate polymer emulsion and preparation method thereof 浙江工业大学 2017-01-04 CN disclosed