⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13219776 | 0.76 | — | — | |
| SCHEMBL21270133 | 0.72 | CYP1A2 (0.73) | — | |
| SCHEMBL13219784 | 0.71 | — | — | |
| SCHEMBL25603102 | 0.69 | — | — | |
| SCHEMBL21270136 | 0.69 | CYP1A2 (0.67) | — | |
| SCHEMBL2163916 | 0.69 | — | — | |
| SCHEMBL21270138 | 0.69 | CYP1A2 (0.67) | — | |
| SCHEMBL2442294 | 0.68 | — | — | |
| SCHEMBL4197145 | 0.67 | — | — | |
| SCHEMBL19590676 | 0.67 | CYP1A2 (0.47) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6566355-B1 | Useful in combination with beta -lactam antibiotics in the control of beta -lactamase forming pathogens | HOFFMANN-LA ROCHE INC. | 2003-05-20 | — | — | US | disclosed |
| US-5712268-A | Compositions of tricyclic β-lactams and uses thereof | HOFFMANN-LA ROCHE INC. (US) | 1998-01-27 | — | — | US | disclosed |
| US-5698577-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1997-12-16 | — | — | US | disclosed |
| US-5510343-A | BETA-LACTAMASE INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 1996-04-23 | — | — | US | disclosed |