SCHEMBL27628786

SCHEMBL27628786

O=C(CO)NC(=O)NCO

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 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
SCHEMBL28207990 0.82 OR51E2 (0.30)
SCHEMBL11677206 0.82 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6980552 0.76
SCHEMBL2373214 0.75
SCHEMBL18694667 0.75 EPHX1 (0.35) ALDH1A1
SCHEMBL27834 0.75
SCHEMBL27589841 0.74
SCHEMBL21352467 0.74
SCHEMBL11796233 0.72
SCHEMBL11793845 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101798323-B N-halamine siloxanes for use in biocidal coatings and materials UNIV AUBURN 2014-01-22 CN disclosed
CN-101967351-A Heterocyclic halamine-substituted siloxanes for use in biocidal coatings and materials UNIV AUBURN 2011-02-09 CN disclosed
CN-101798323-A N-halamine siloxanes for use in biocidal coatings and materials UNIV AUBURN 2010-08-11 CN disclosed
CN-100590127-C Heterocyclic halamine siloxanes for use in biocidal coatings and materials UNIV AUBURN 2010-02-17 CN disclosed
CN-1675227-A Heterocyclic halamine siloxanes for use in biocidal coatings and materials UNIV AUBURN (US) 2005-09-28 CN disclosed