SCHEMBL5213429

SCHEMBL5213429

C=CC(=O)OCC1CSC(CSC(C)SCC2SCC(COC(=O)C=C)S2)S1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36

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
SCHEMBL5207421 0.92 TSHR (0.31) TSHR
SCHEMBL5209752 0.88 TSHR (0.33) TSHR
SCHEMBL5204526 0.86 TSHR (0.32) TSHR
SCHEMBL5210992 0.84 THRB (0.32) TSHR
SCHEMBL5206839 0.83 TSHR (0.31) TSHR
SCHEMBL5205497 0.83 TSHR (0.31) TSHR
SCHEMBL5209544 0.82
SCHEMBL5204679 0.82 TSHR (0.30) TSHR
SCHEMBL5210153 0.82 ALDH1A1 (0.42) TSHR
SCHEMBL14409303 0.82 TSHR (0.36) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1388540-B1 ACRYLIC ESTERS AND USE THEREOF MITSUI CHEMICALS INC (JP) 2007-09-05 EP disclosed
EP-1388540-A1 ACRYLIC ESTERS AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2004-02-11 EP disclosed