⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2113137 | 1.00 | — | — | |
| SCHEMBL2272941 | 0.65 | — | — | |
| SCHEMBL24485925 | 0.65 | — | — | |
| SCHEMBL15289253 | 0.64 | CCR5 (0.33) | — | |
| SCHEMBL16877913 | 0.63 | CCR5 (0.38) | — | |
| SCHEMBL17479092 | 0.63 | CCR5 (0.38) | — | |
| SCHEMBL15399387 | 0.63 | — | — | |
| SCHEMBL231562 | 0.63 | — | — | |
| SCHEMBL1540946 | 0.63 | — | — | |
| SCHEMBL22823872 | 0.63 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7691850-B2 | Antibacterial agents | GLAXO GROUP LIMITED (GB) | 2010-04-06 | — | — | US | disclosed |
| US-20070287701-A1 | 6-({[(1-{2-[6-(methyloxy)-1,5-naphthyridin-4-yl]ethyl}-3-pyrrolidinyl)methyl]amino}methyl)-2H-pyrido[3,2-b][1,4]thiazin-3(4H)-one; bacterial infections; antibiotic resistance; Staphylococcus aureus, Streptococcus pneumoniae and pyogenes, Enterococcus; Haemophilus influenzae, Moraxella catarrhalis, E-coli | SMITHKLINE BEECHAM CORPORATION | 2007-12-13 | — | — | US | disclosed |