SCHEMBL6344951

SCHEMBL6344951

C=CCOC(CCO)CCCS(=O)(=O)O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APP P05067 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
SCHEMBL1072661 0.80 TSHR (0.32)
SCHEMBL18831991 0.73
SCHEMBL28143939 0.72 APP (0.37) APP
SCHEMBL869674 0.70 CA1 (0.33)
SCHEMBL28276675 0.70 APP (0.35) APP
SCHEMBL600804 0.70
SCHEMBL2098941 0.70 CA1 (0.33)
SCHEMBL9779437 0.70 MEN1 (0.34)
SCHEMBL3327887 0.69 CA1 (0.32)
SCHEMBL28804202 0.68 CA1 (0.42)

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
US-6861032-B2 Adding to boiler water an oxygen scavenger including, as an effective component, a heterocyclic compound with N-substituted amino group, or the salt thereof, and alkaline agent and/or water soluble polymer KURITA WATER INDUSTRIES LTD. (JP) 2005-03-01 US disclosed
US-6346206-B1 CHEMICAL COMPRISING HETEROCYCLIC COMPOUND SELECTED FROM 1-AMINOPYRROLIDINE, 1,4-DIAMINOPIPERAZINE, 1-AMINOPIPERIDINE, 1-AMINOHOMOPIPERIDINE, MORPHOLINOBIGUANIDE AND WATER SOLUBLE SALTS THEREOF, AND NEUTRAL AMINE KURITA WATER INDUSTRIES LTD. (JP) 2002-02-12 US disclosed