⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7922674 | 0.64 | NPSR1 (0.34) | — | |
| SCHEMBL6849692 | 0.64 | TSHR (0.47) | — | |
| SCHEMBL16485662 | 0.62 | PIK3CD (0.36) | — | |
| SCHEMBL4778404 | 0.61 | CA2 (0.41) | — | |
| SCHEMBL11772103 | 0.61 | KLK5 (0.40) | — | |
| SCHEMBL337968 | 0.61 | — | — | |
| SCHEMBL8561276 | 0.61 | TSHR (0.40) | — | |
| SCHEMBL322046 | 0.60 | — | — | |
| SCHEMBL4898079 | 0.60 | CRBN (0.38) | — | |
| SCHEMBL8380249 | 0.59 | KDM4E (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5162523-A | CEPHALOSPORIN ANTIBACTERIAL COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 1992-11-10 | — | — | US | disclosed |
| US-5159077-A | Bactericide, antibiotic | HOFFMANN-LA ROCHE INC. (US) | 1992-10-27 | — | — | US | disclosed |
| EP-0409081-A1 | Beta-Lactam Derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1991-01-23 | — | — | EP | disclosed |
| US-4670553-A | 2-oxo-1-(aminocarbonylaminosulfonyl-aminocarbonyl)azetidines | E. R. SQUIBB & SONS, INC. (US) | 1987-06-02 | — | — | US | disclosed |
| EP-0085291-A1 | 2-Oxo-1-(aminocarbonylaminosulfonylaminocarbonyl)azetidines | E.R. Squibb & Sons, Inc. (US) | 1983-08-10 | — | — | EP | disclosed |