⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8443561 | 1.00 | — | — | |
| SCHEMBL9651146 | 0.85 | GSK3B (0.32) | — | |
| SCHEMBL9651149 | 0.85 | GSK3B (0.32) | — | |
| SCHEMBL8439966 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL8439968 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL9651349 | 0.74 | — | — | |
| SCHEMBL9651354 | 0.74 | — | — | |
| SCHEMBL13477368 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL9688362 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL7805500 | 0.69 | ALDH1A1 (0.42) | — |
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-5856320-A | ANTIBIOTIC RESISTANT STAPYLOCOCCUS | KATAYAMA SEIYAKUSYO CO., LTD. (JP) | 1999-01-05 | — | — | US | disclosed |
| EP-0771803-A1 | Pyrazolo(1,5-a)pyrimidinium substituted cephem derivatives, their preparation and their use as antimicrobial agents | KATAYAMA SEIYAKUSYO CO. Ltd. (JP) | 1997-05-07 | — | — | EP | disclosed |