⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7802668 | 1.00 | — | — | |
| SCHEMBL2199674 | 0.79 | MAPT (0.55) | — | |
| SCHEMBL15116312 | 0.76 | — | — | |
| SCHEMBL31085484 | 0.71 | — | — | |
| SCHEMBL31085482 | 0.71 | — | — | |
| SCHEMBL14595611 | 0.71 | FBP1 (0.46) | — | |
| SCHEMBL3565189 | 0.70 | — | — | |
| SCHEMBL148213 | 0.70 | — | — | |
| SCHEMBL18471675 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL4299916 | 0.69 | ALDH1A1 (0.46) | — |
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-0812846-B1 | Preparation of cephem- and isooxacephem derivatives | BASILEA PHARMACEUTICA AG (CH) | 2001-08-16 | — | — | EP | disclosed |
| EP-0812846-A1 | Preparation of cephem- and isooxacephem derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1997-12-17 | — | — | EP | disclosed |
| CN-1167766-A | Preparation of cephem- and isooxacephem derivatives | HOFFMANN LA ROCHE (CH) | 1997-12-17 | — | — | CN | disclosed |