SCHEMBL11519043

SCHEMBL11519043

CC(=CC(C)(C)C)C(=O)O.COS(=O)(=O)O

nearest known ligand 0.33

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 3/20 0.33
GRIK1 P39086 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
SCHEMBL22811 0.82 GRIK1 (0.39) GRIK1
SCHEMBL27166 0.82 GRIK1 (0.39) GRIK1
Ammonia Solution, Strong SCHEMBL9636713 0.80
SCHEMBL8351598 0.76 GRIK1 (0.35) GRIK1
Methacrylic Acid SCHEMBL4205585 0.74 GRIK1 (0.34) GRIK1
Butadiene SCHEMBL1171833 0.74 GRIK1 (0.34) GRIK1
Methacrylic Acid SCHEMBL4205581 0.74 GRIK1 (0.34) GRIK1
SCHEMBL2045712 0.73
SCHEMBL602498 0.73 ALDH1A1 (0.56)
SCHEMBL6839660 0.73 ALDH1A1 (0.56)

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-4166846-A CATIONIC ACRYLIC ESTER POLYMERS MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1979-09-04 US disclosed