SCHEMBL6723367

SCHEMBL6723367

CC(=O)C[S+](C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.32

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
SCHEMBL686322 0.69
Bromide SCHEMBL8756213 0.67
SCHEMBL454918 0.65
SCHEMBL12409740 0.63
SCHEMBL6728635 0.63 ALDH1A1 (0.41) ALDH1A1TDP1TRPA1
SCHEMBL13380708 0.61 ALDH1A1 (0.39) ALDH1A1TDP1TRPA1
SCHEMBL686212 0.59
SCHEMBL28115819 0.57
SCHEMBL11851801 0.57
Tert-Butanol SCHEMBL23923797 0.57 ALDH1A1 (0.71) ALDH1A1TDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 US disclosed