⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1553176 | 0.94 | — | — | |
| SCHEMBL1553019 | 0.92 | — | — | |
| SCHEMBL1553165 | 0.90 | — | — | |
| SCHEMBL1505567 | 0.89 | — | — | |
| SCHEMBL1505468 | 0.86 | CYP2A6 (0.41) | — | |
| SCHEMBL1554159 | 0.84 | — | — | |
| SCHEMBL1505435 | 0.81 | CYP2A6 (0.43) | — | |
| SCHEMBL1505437 | 0.81 | — | — | |
| SCHEMBL1553170 | 0.81 | — | — | |
| SCHEMBL1553151 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2102199-B1 | ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS | ASTRAZENECA AB (SE) | 2011-04-27 | — | — | EP | disclosed |
| EP-2102199-B1 | ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS | ASTRAZENECA AB (SE) | 2011-04-27 | — | — | EP | disclosed |
| US-7674801-B2 | Alkyl urea substituted pyridines | ASTRAZENECA AB (SE) | 2010-03-09 | — | — | US | disclosed |
| US-7674801-B2 | Alkyl urea substituted pyridines | ASTRAZENECA AB (SE) | 2010-03-09 | — | — | US | disclosed |
| WO-2008068470-A1 | ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS | ASTRAZENECA AB (SE) | 2008-06-12 | — | — | WO | disclosed |
| US-20080132546-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2008-06-05 | — | — | US | disclosed |
| US-20080132546-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2008-06-05 | — | — | US | disclosed |