SCHEMBL4555487

SCHEMBL4555487

C=CCOS(=O)(=O)O.NCO

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 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
Monoethanolamine SCHEMBL7198248 0.91 CA2 (0.33) CA2CA9CA12CA1CA7
Allylamine SCHEMBL17510059 0.91 ALDH1A1 (0.41) CA2CA9CA12CA1CA7
Hydrazine SCHEMBL16102609 0.91 CA2 (0.38) CA2CA9CA12CA1CA7
Hydroxyamine SCHEMBL9307543 0.91 CA2 (0.38) CA2CA9CA12CA1CA7
SCHEMBL29655 0.91
SCHEMBL28900865 0.91 CA2 (0.36) CA2CA9CA12CA1CA7
SCHEMBL15349414 0.91 CA2 (0.36) CA2CA9CA12CA1CA7
Allyl Alcohol SCHEMBL27620579 0.88 TSHR (0.43) CA2CA9
Methylamine SCHEMBL2059698 0.88 CA2 (0.37) CA2CA9CA12CA1CA7
Ethylene Glycol SCHEMBL9640698 0.88 TSHR (0.33) CA2CA9

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
EP-2097501-A1 FOAMING HARD SURFACE CLEANER Colgate-Palmolive Company (US) 2009-09-09 EP disclosed
WO-2008060303-A1 FOAMING HARD SURFACE CLEANER COLGATE-PALMOLIVE COMPANY (US) 2008-05-22 WO disclosed