SCHEMBL5209616

SCHEMBL5209616

C=C(C)C(=O)OCC1CSC(Cc2cccc(CC3SCC(COC(=O)C(=C)C)S3)c2)S1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
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
SCHEMBL5209498 0.90 ALDH1A1 (0.40) ALDH1A1HTT
SCHEMBL5209941 0.85 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5209857 0.85 ALDH1A1 (0.38) ALDH1A1HTT
SCHEMBL5206142 0.85 ALDH1A1 (0.35) ALDH1A1
SCHEMBL5209402 0.82 THRB (0.33)
SCHEMBL5204875 0.81 ALDH1A1 (0.37) ALDH1A1
SCHEMBL5212678 0.80 HTT (0.30) HTT
SCHEMBL5209862 0.79 ALDH1A1 (0.46) ALDH1A1
SCHEMBL5210023 0.79 ALDH1A1 (0.46) ALDH1A1
SCHEMBL5210286 0.78 ALDH1A1 (0.37) ALDH1A1

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