SCHEMBL5207450

SCHEMBL5207450

C=CC(=O)OCC1CSC(C(SC)C2CCCCC2C(SC)C2SCC(COC(=O)C=C)S2)S1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35

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
SCHEMBL5211539 0.89 TSHR (0.33) TSHR
SCHEMBL5210639 0.87 TSHR (0.30) TSHR
SCHEMBL5208658 0.83 ALDH1A1 (0.38) TSHR
SCHEMBL5213060 0.79
SCHEMBL5205199 0.79 TSHR (0.31) TSHR
SCHEMBL5205117 0.78 TSHR (0.36) TSHR
SCHEMBL5210971 0.77 THRB (0.33)
SCHEMBL5206381 0.76 TSHR (0.36) TSHR
SCHEMBL5206960 0.76 TSHR (0.32) TSHR
SCHEMBL5209638 0.75

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