SCHEMBL5208709

SCHEMBL5208709

C=C(C)C(=O)OCC1CSC(C(SC)C2CCCC(C(SC)C3SCC(COC(=O)C(=C)C)S3)C2)S1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
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
SCHEMBL5212201 0.91 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL5208658 0.87 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL5210639 0.84 TSHR (0.30) TSHR
SCHEMBL5208929 0.81
SCHEMBL5209109 0.76 TSHR (0.35) ALDH1A1TSHR
SCHEMBL5208996 0.76 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL5210138 0.75 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL5206718 0.74 ALDH1A1 (0.35) ALDH1A1
SCHEMBL5211539 0.74 TSHR (0.33) TSHR
SCHEMBL5204646 0.73

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 3 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
US-6835844-B2 Acrylic esters and use thereof MITSUI CHEMICALS, INC. (JP) 2004-12-28 US disclosed
EP-1388540-A1 ACRYLIC ESTERS AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2004-02-11 EP disclosed