⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6898321 | 0.92 | TK1 (0.42) | — | |
| SCHEMBL6897934 | 0.91 | — | — | |
| SCHEMBL6895985 | 0.90 | TK1 (0.39) | — | |
| SCHEMBL6903858 | 0.84 | — | — | |
| SCHEMBL6903649 | 0.84 | ABL1 (0.35) | — | |
| SCHEMBL6778387 | 0.83 | KDM4E (0.51) | — | |
| SCHEMBL7058165 | 0.83 | DRD3 (0.49) | — | |
| SCHEMBL6905005 | 0.81 | — | — | |
| SCHEMBL4743074 | 0.81 | — | — | |
| SCHEMBL6904980 | 0.80 | — | — |
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 |