⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1014919 | 0.68 | PDPK1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL1741651 | 0.67 | PI4KA (0.44) | — | |
| Hydrochloric Acid SCHEMBL14742344 | 0.67 | PI4KA (0.44) | — | |
| SCHEMBL95122 | 0.65 | — | — | |
| SCHEMBL901559 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL2247692 | 0.57 | NCF1 (0.39) | — | |
| SCHEMBL888386 | 0.57 | MGMT (0.30) | — | |
| SCHEMBL19236510 | 0.56 | CYP1A2 (0.49) | — | |
| SCHEMBL342514 | 0.55 | ALDH1A1 (0.44) | — | |
| SCHEMBL31058760 | 0.55 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143263-B2 | Therapeutic agents | ASTRAZENECA AB (SE) | 2012-03-27 | — | — | US | disclosed |
| US-8071608-B2 | Therapeutic agents | ASTRAZENECA AB (SE) | 2011-12-06 | — | — | US | disclosed |
| US-8071585-B2 | Therapeutic agents | ASTRAZENECA AB (SE) | 2011-12-06 | — | — | US | disclosed |
| EP-2324028-A2 | THERAPEUTIC AGENTS 414 | AstraZeneca AB (SE) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010116176-A1 | PYRAZOLO [4, 5-E] PYRIMIDINE DERIVATIVE AND ITS USE TO TREAT DIABETES AND OBESITY | ASTRAZENECA AB (SE) | 2010-10-14 | — | — | WO | disclosed |
| WO-2010116177-A1 | A PYRAZOLO [4,5-E] PYRIMIDINE DERIVATIVE AND ITS USE TO TREAT DIABETES AND OBESITY | ASTRAZENECA AB (SE) | 2010-10-14 | — | — | WO | disclosed |
| US-20100261733-A1 | THERAPEUTIC AGENTS 927 | ASTRAZENECA AB (SE) | 2010-10-14 | — | — | US | disclosed |
| US-20100261704-A1 | THERAPEUTIC AGENTS 928 | ASTRAZENECA AB (SE) | 2010-10-14 | — | — | US | disclosed |
| US-20100093757-A1 | THERAPEUTIC AGENTS 414 | ASTRAZENECA AB (SE) | 2010-04-15 | — | — | US | disclosed |
| WO-2010015849-A2 | THERAPEUTIC AGENTS 414 | ASTRAZENECA AB (SE) | 2010-02-11 | — | — | WO | disclosed |