SCHEMBL27717869

SCHEMBL27717869

N#CCOS(=O)(=O)OCC#N

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 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
SCHEMBL28694069 0.77
SCHEMBL11204115 0.77
SCHEMBL3938270 0.77
SCHEMBL2769491 0.75 RECQL (0.32)
Ammonia Solution, Strong SCHEMBL5462398 0.75
SCHEMBL2937219 0.75 RECQL (0.32)
SCHEMBL18176764 0.75
SCHEMBL18176774 0.71
SCHEMBL27622033 0.71 CA2 (0.35)
SCHEMBL18176772 0.69 NLRP3 (0.34) NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101265174-B Method for extracting hydroxyacetic acid from water solution mixture containing hydroxyacetic acid UNIV EAST CHINA SCIENCE & TECH 2011-06-08 CN disclosed
CN-101265174-A Method for extracting hydroxyacetic acid from water solution mixture containing hydroxyacetic acid UNIV EAST CHINA SCIENCE & TECH (CN) 2008-09-17 CN disclosed