⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL102060 | 0.76 | — | — | |
| SCHEMBL25401378 | 0.76 | — | — | |
| SCHEMBL30639735 | 0.76 | — | — | |
| SCHEMBL31248173 | 0.76 | — | — | |
| SCHEMBL27827200 | 0.73 | POLB (0.41) | — | |
| Potassium Ion SCHEMBL27622794 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL12305001 | 0.73 | PTGS2 (0.40) | — | |
| SCHEMBL8438638 | 0.73 | POLB (0.36) | — | |
| SCHEMBL8435108 | 0.73 | POLB (0.36) | — | |
| SCHEMBL4974 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5409920-A | 2-(3-pyridyl)-carbapenem antibacterial agents | MERCK & CO., INC. (US) | 1995-04-25 | — | — | US | disclosed |
| EP-0479574-A2 | 2-(3-pyridyl)-carbapenem antibacterial agents | MERCK & CO. INC. (US) | 1992-04-08 | — | — | EP | disclosed |