SCHEMBL9447745

SCHEMBL9447745

CC(=O)C/C=N\S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
HTT P42858 1/20 0.31

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
SCHEMBL9447746 1.00 TRPA1 (0.33) TRPA1HTT
SCHEMBL8937885 0.69
SCHEMBL8937888 0.69
SCHEMBL6355833 0.69
SCHEMBL17743536 0.67 HTT (0.35) TRPA1HTT
SCHEMBL5707061 0.67 HTT (0.35) TRPA1HTT
SCHEMBL9504206 0.65
SCHEMBL16235535 0.62 CA2 (0.33)
SCHEMBL2870196 0.62
SCHEMBL18396664 0.60

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
EP-0539576-A1 ORGANOMETALLIC COMPLEX-ANTIOXIDANT COMBINATIONS, AND CONCENTRATES AND DIESEL FUELS CONTAINING SAME. LUBRIZOL CORP (US) 1993-05-05 EP disclosed