⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22081052 | 1.00 | — | — | |
| SCHEMBL22081068 | 1.00 | — | — | |
| SCHEMBL19415370 | 0.89 | — | — | |
| SCHEMBL22759620 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL30031031 | 0.70 | PTPN11 (0.33) | — | |
| SCHEMBL21780554 | 0.69 | — | — | |
| SCHEMBL660138 | 0.67 | NCF1 (0.33) | — | |
| SCHEMBL21786389 | 0.67 | — | — | |
| SCHEMBL20625898 | 0.67 | — | — | |
| SCHEMBL16086156 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020115190-A1 | NOVEL ANTIBACTERIAL 3\"-DERIVATIVES OF 4,6-DISUBSTITUTED 2,5-DIDEOXYSTREPTAMINE AMINOGLYCOSIDE ANTIBIOTICS | AGILEBIOTICS B.V. (NL) | 2020-06-11 | — | — | WO | disclosed |