⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2449673 | 0.72 | TLR4 (0.31) | — | |
| SCHEMBL17844887 | 0.70 | TLR4 (0.40) | — | |
| SCHEMBL5773846 | 0.69 | TLR4 (0.32) | — | |
| SCHEMBL2567156 | 0.67 | MT-CO2 (0.34) | — | |
| SCHEMBL2446215 | 0.67 | TNKS2 (0.34) | — | |
| SCHEMBL16503645 | 0.66 | TLR4 (0.36) | — | |
| SCHEMBL1617863 | 0.65 | TLR4 (0.33) | — | |
| SCHEMBL1423859 | 0.65 | — | — | |
| SCHEMBL1565889 | 0.65 | ALDH1A1 (0.43) | — | |
| SCHEMBL31082293 | 0.65 | ALDH1A1 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8188101-B2 | Dihydropyridopyrimidines for the treatment of AB-related pathologies | ASTRAZENECA AB (SE) | 2012-05-29 | — | — | US | disclosed |
| US-8188101-B2 | Dihydropyridopyrimidines for the treatment of AB-related pathologies | ASTRAZENECA AB (SE) | 2012-05-29 | — | — | US | disclosed |
| US-8188101-B2 | Dihydropyridopyrimidines for the treatment of AB-related pathologies | ASTRAZENECA AB (SE) | 2012-05-29 | — | — | US | disclosed |
| EP-2367826-A1 | MODULATORS OF AMYLOID BETA. | AstraZeneca AB (SE) | 2011-09-28 | — | — | EP | disclosed |
| US-20100130495-A1 | COMPOUNDS 563 | ASTRAZENECA AB (SE) | 2010-05-27 | — | — | US | disclosed |
| US-20100130495-A1 | COMPOUNDS 563 | ASTRAZENECA AB (SE) | 2010-05-27 | — | — | US | disclosed |
| US-20100130495-A1 | COMPOUNDS 563 | ASTRAZENECA AB (SE) | 2010-05-27 | — | — | US | disclosed |
| WO-2010053438-A1 | MODULATORS OF AMYLOID BETA. | ASTRAZENECA AB (SE) | 2010-05-14 | — | — | WO | disclosed |
| WO-2010053438-A1 | MODULATORS OF AMYLOID BETA. | ASTRAZENECA AB (SE) | 2010-05-14 | — | — | WO | disclosed |