⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6903799 | 0.99 | — | — | |
| SCHEMBL6895953 | 0.97 | — | — | |
| SCHEMBL6904426 | 0.95 | — | — | |
| SCHEMBL6903849 | 0.93 | — | — | |
| SCHEMBL6902747 | 0.91 | — | — | |
| SCHEMBL4743074 | 0.91 | — | — | |
| SCHEMBL6904980 | 0.91 | — | — | |
| SCHEMBL6899572 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL6902139 | 0.91 | — | — | |
| SCHEMBL6905337 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1401829-A4 | NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS | MICROBIOTIX INC (US) | 2004-10-27 | — | — | EP | disclosed |
| EP-1401829-A1 | NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS | Microbiotix, Inc. (US) | 2004-03-31 | — | — | EP | disclosed |
| WO-2002102792-A1 | NOVEL HETEROCYCLIC ANTIBACTERIAL COMPOUNDS | MICROBIOTIX, INC. (US) | 2002-12-27 | — | — | WO | disclosed |