⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1553290 | 0.89 | ABL1 (0.54) | — | |
| SCHEMBL1553044 | 0.88 | HCAR3 (0.56) | — | |
| SCHEMBL1553980 | 0.81 | GAA (0.43) | — | |
| SCHEMBL1553039 | 0.81 | PIK3CA (0.52) | — | |
| SCHEMBL1552425 | 0.78 | DGAT1 (0.53) | — | |
| SCHEMBL29598250 | 0.77 | MAPK1 (0.61) | — | |
| SCHEMBL1553483 | 0.76 | MAPK1 (0.47) | — | |
| SCHEMBL1854705 | 0.75 | MAPK1 (0.59) | — | |
| SCHEMBL4340371 | 0.75 | PIK3CA (0.77) | — | |
| SCHEMBL19151089 | 0.74 | MAPK1 (0.54) | — |
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 6 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 |
| 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 |