SCHEMBL27675952

SCHEMBL27675952

C=CC(=O)Oc1cc([SH](=O)=O)c(OCC)c(OCC)c1C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.35
THRA P10827 1/20 0.35
TSHR P16473 1/20 0.33
EGFR P00533 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL27562817 0.83 THRB (0.38) THRBTHRATSHREGFRALDH1A1
SCHEMBL27766340 0.81 THRB (0.36) THRBTHRATSHREGFRALDH1A1
SCHEMBL28740583 0.81 THRB (0.39) THRBTHRATSHREGFRALDH1A1
SCHEMBL27674430 0.79 THRB (0.35) THRBTHRATSHREGFRALDH1A1
SCHEMBL27972929 0.79 THRB (0.35) THRBTHRATSHREGFRALDH1A1
SCHEMBL27445927 0.79 THRB (0.43) THRBTHRATSHREGFRALDH1A1
SCHEMBL27987395 0.77 THRB (0.38) THRBTHRAALDH1A1
SCHEMBL27692870 0.74 THRB (0.32) THRBTHRATSHREGFR
SCHEMBL28008425 0.73 THRB (0.46) THRBTHRATSHREGFRALDH1A1
SCHEMBL28110850 0.73 TSHR (0.46) THRBTHRATSHREGFRALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1930258-B Active energy ray-curable coating composition and method for forming protective coating film MITSUBISHI RAYON CO 2011-08-03 CN disclosed
CN-1930258-A Active energy ray-curable coating composition and method for forming protective coating film MITSUBISHI RAYON CO (JP) 2007-03-14 CN disclosed