⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4870451 | 0.86 | — | — | |
| SCHEMBL4236734 | 0.83 | — | — | |
| SCHEMBL404532 | 0.82 | ANPEP (0.34) | — | |
| SCHEMBL403598 | 0.82 | ANPEP (0.35) | — | |
| SCHEMBL4873402 | 0.80 | ANPEP (0.36) | — | |
| SCHEMBL4239586 | 0.79 | — | — | |
| SCHEMBL4144367 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL6619926 | 0.76 | — | — | |
| SCHEMBL4873041 | 0.73 | CTSS (0.38) | — | |
| SCHEMBL4877020 | 0.71 | MMP8 (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8101640-B2 | Antibacterial agents | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2012-01-24 | — | — | US | disclosed |
| US-20110172174-A1 | Antibacterial agents | NOVARTIS VACCINES AND DIAGNOSTICS INC. | 2011-07-14 | — | — | US | disclosed |
| US-7358359-B2 | Antibacterial agents | UNIVERSITY OF WASHINGTON (US) | 2008-04-15 | — | — | US | disclosed |
| US-20060154988-A1 | Antibacterial agents | UNIVERSITY OF WASHINGTON (US) | 2006-07-13 | — | — | US | disclosed |