SCHEMBL2786246

SCHEMBL2786246

C=CC(OC(=O)C(=C)C)C1CCS1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
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
SCHEMBL7557065 0.75 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL17329069 0.73 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL22064097 0.71
SCHEMBL10456945 0.68 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL87373 0.67 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL27385530 0.67 ALDH1A1 (0.44) ALDH1A1TSHR
SCHEMBL809329 0.65 TSHR (0.43) ALDH1A1TSHR
SCHEMBL37915 0.65 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL8816362 0.65 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL26936564 0.65 ALDH1A1 (0.34) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482002-B1 POLYMERIZABLE COMPOSITION CONTAINING NOVEL CYCLIC SULFUR COMPOUND AND RESIN OBTAINED BY CURING THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS INC (JP) 2010-04-28 EP disclosed
US-7132501-B2 Polymerizable composition containing novel cyclic sulfur compound and resin obtained by curing the polymerizable composition MITSUI CHEMICALS, INC. (JP) 2006-11-07 US disclosed
US-20050215757-A1 Polymerizable composition containing novel cyclic sulfur compound and resin obtained by curing the polymerizable composition MITSUI CHEMICALS, INC. (JP) 2005-09-29 US disclosed
EP-1482002-A1 POLYMERIZABLE COMPOSITION CONTAINING NOVEL CYCLIC SULFUR COMPOUND AND RESIN OBTAINED BY CURING THE POLYMERIZABLE COMPOSITION MITSUI CHEMICALS, INC. (JP) 2004-12-01 EP disclosed