⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4082957 | 0.73 | — | — | |
| SCHEMBL12967853 | 0.69 | — | — | |
| SCHEMBL10203543 | 0.69 | — | — | |
| SCHEMBL6506247 | 0.67 | — | — | |
| Formaldehyde SCHEMBL9014350 | 0.67 | APEX1 (0.38) | — | |
| SCHEMBL15691927 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL505953 | 0.65 | — | — | |
| SCHEMBL6223633 | 0.65 | — | — | |
| SCHEMBL13419273 | 0.63 | — | — | |
| Ethylene Glycol SCHEMBL6557122 | 0.62 | CA2 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010147836-A1 | COMBINATION THERAPIES USING ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS | ACHAOGEN, INC. (US) | 2010-12-23 | — | — | WO | disclosed |
| WO-2010132768-A1 | ANTIBACTERIAL DERIVATIVES OF SISOMICIN | ACHAOGEN, INC. (US) | 2010-11-18 | — | — | WO | disclosed |
| WO-2010132765-A2 | ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS | ACHAOGEN, INC. (US) | 2010-11-18 | — | — | WO | disclosed |