SCHEMBL28569345

SCHEMBL28569345

CCOS(=O)(=O)O.CC[N+](C)(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
BBOX1 O75936 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
Tetramethylammonium Ion SCHEMBL27903524 0.85 CA2 (0.42) CA1CA2
SCHEMBL7214 0.84
Tetrylammonium SCHEMBL27566986 0.83 CA2 (0.40) CA1CA2
Sulfur Dioxide SCHEMBL27526446 0.82 CA2 (0.43) CA1CA2
Sulfur Dioxide SCHEMBL5694757 0.82 CA2 (0.43) CA1CA2
SCHEMBL7927312 0.82
Ethane SCHEMBL9438385 0.82
Hydrochloric Acid SCHEMBL8954274 0.82
SCHEMBL7587942 0.82
SCHEMBL20637763 0.82

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
CN-107868053-B Preparation method of alkyl sulfate 深圳新宙邦科技股份有限公司 2021-05-14 CN disclosed