SCHEMBL28848851

SCHEMBL28848851

C=C(C)C(=O)OCC(F)(F)N[SH](=O)=O

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.37

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
SCHEMBL20103261 0.78 TSHR (0.38) TSHRALDH1A1THRB
SCHEMBL15097678 0.77 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL246606 0.75 TSHR (0.48) TSHRALDH1A1THRB
SCHEMBL36595 0.75 TSHR (0.48) TSHRALDH1A1THRB
SCHEMBL28031899 0.75 TSHR (0.48) TSHRALDH1A1THRB
SCHEMBL245591 0.75 TSHR (0.48) TSHRALDH1A1THRB
Fluoride SCHEMBL28255897 0.74 TSHR (0.47) TSHRALDH1A1THRB
SCHEMBL13554470 0.74 TSHR (0.47) TSHRALDH1A1THRB
SCHEMBL6737151 0.73 ALDH1A1 (0.58) TSHRALDH1A1THRB
SCHEMBL17681954 0.72 TSHR (0.45) TSHRALDH1A1THRB

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-103869623-B Coating composition 默克专利有限公司 2017-07-21 CN disclosed