⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1160111 | 1.00 | — | — | |
| SCHEMBL9547410 | 0.79 | — | — | |
| SCHEMBL9547405 | 0.79 | — | — | |
| Acetic Acid SCHEMBL9547147 | 0.73 | HDAC3 (0.34) | — | |
| Acetic Acid SCHEMBL9547145 | 0.73 | HDAC3 (0.34) | — | |
| SCHEMBL2632247 | 0.72 | MAPT (0.41) | — | |
| SCHEMBL6675935 | 0.71 | — | — | |
| SCHEMBL13654262 | 0.71 | — | — | |
| Cis-Urocanic Acid SCHEMBL15417 | 0.69 | KDM4E (0.43) | — | |
| Cis-Urocanic Acid SCHEMBL19031717 | 0.69 | KDM4E (0.43) | — |
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 7 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 |
| WO-1998008492-A1 | TRANSDERMAL DELIVERY OF PEPTIDES | NOVO NORDISK A/S (DK) | 1998-03-05 | — | — | WO | 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 |
| EP-0508234-B1 | Beta-lactames | HOFFMANN LA ROCHE (CH) | 1996-07-24 | — | — | EP | disclosed |
| US-5510343-A | BETA-LACTAMASE INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 1996-04-23 | — | — | US | disclosed |
| EP-0508234-A2 | Beta-lactames | F. HOFFMANN-LA ROCHE AG (CH) | 1992-10-14 | — | — | EP | disclosed |