SCHEMBL10414005

SCHEMBL10414005

CCOC(=CN(C)C)C=[N+](C)CO[Cl+3]([O-])([O-])[O-]

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 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
SCHEMBL10581145 0.88
Perchlorate SCHEMBL9229122 0.79 CYP2C9 (0.34) CYP2C9
Perchlorate SCHEMBL10414004 0.79 CYP2C9 (0.34) CYP2C9
Perchlorate SCHEMBL9229121 0.79 CYP2C9 (0.34) CYP2C9
SCHEMBL10991940 0.79 ALDH1A1 (0.34)
Iodide SCHEMBL10580816 0.73 CYP2C9 (0.37) CYP2C9
Iodide SCHEMBL10580811 0.73 CYP2C9 (0.37) CYP2C9
SCHEMBL4256247 0.73 CYP2C9 (0.30) CYP2C9
SCHEMBL10583338 0.72
SCHEMBL10583455 0.71 CYP2C9 (0.37) CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4892732-A PHOSPHORAMIDOTHIOATES THE DOW CHEMICAL COMPANY (US) 1990-01-09 US disclosed
US-4857663-A Hypoglycemic N-(2-substituted-3-dialkylamino-2-propenylidene)-N-alkylalkanaminium salts MERRELL DOW PHARMACEUTICALS INC. (US) 1989-08-15 US disclosed
US-4788335-A Hypoglycemic N-(2-substituted-3-dialkylamino-2-propenylidene)-N-alkylalkanaminium salts MERRELL DOW PHARMACEUTICALS INC. (US) 1988-11-29 US disclosed
US-4533677-A ANTIDIABETIC AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1985-08-06 US disclosed
US-4489011-A Hypoglycemic N-(2-substituted-3-dialkylamino-2-propenylidene)-N-alkylalkanaminium camsylate salts MERRELL DOW PHARMACEUTICALS INC. (US) 1984-12-18 US disclosed
US-4444764-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1984-04-24 US disclosed
EP-0023841-A2 5 Pyrimidinol phosphorus esters, and methods for their manufacture, compositions containing those esters and their use as pesticides THE DOW CHEMICAL COMPANY (US) 1981-02-11 EP disclosed