⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27325686 | 0.82 | — | — | |
| SCHEMBL27702567 | 0.78 | — | — | |
| SCHEMBL628937 | 0.78 | — | — | |
| SCHEMBL8435873 | 0.76 | — | — | |
| SCHEMBL5065848 | 0.76 | — | — | |
| SCHEMBL8003186 | 0.74 | CES2 (0.44) | — | |
| SCHEMBL10503240 | 0.74 | CES2 (0.44) | — | |
| SCHEMBL11640003 | 0.74 | CES2 (0.44) | — | |
| SCHEMBL10503463 | 0.74 | CES2 (0.44) | — | |
| SCHEMBL10503085 | 0.74 | CES2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0107928-B1 | VINYLTHIOACETAMIDO OXACEPHALOSPORIN DERIVATIVES, AND INTERMEDIATES THEREFOR, THEIR PREPARATION, FORMULATIONS CONTAINING THE SAME AND THEIR ANTIBACTERIAL USE | SHIONOGI & CO., LTD. (JP) | 1988-01-07 | — | — | EP | disclosed |
| US-4529721-A | Human and veterinary bactericide | SHIONOGI & CO., LTD. (JP) | 1985-07-16 | — | — | US | disclosed |