⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10378156 | 0.69 | CYP2D6 (0.30) | — | |
| SCHEMBL9575649 | 0.69 | CYP2D6 (0.30) | — | |
| SCHEMBL6221344 | 0.69 | — | — | |
| SCHEMBL1402744 | 0.65 | — | — | |
| SCHEMBL9572842 | 0.64 | — | — | |
| SCHEMBL2007454 | 0.64 | — | — | |
| SCHEMBL6220571 | 0.64 | — | — | |
| SCHEMBL7261102 | 0.63 | — | — | |
| SCHEMBL4540547 | 0.62 | — | — | |
| SCHEMBL3096040 | 0.62 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6846827-B1 | Pyrimidine derivatives | ASTRAZENECA AB (SE) | 2005-01-25 | — | — | US | claimed |
| EP-1226126-B1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-01-05 | — | — | EP | claimed |
| CN-1378537-A | Pyrimidine derivatives | ASTRAZENECA AB (SE) | 2002-11-06 | — | — | CN | claimed |
| EP-1226126-A1 | PYRIMIDINE DERIVATIVES | AstraZeneca AB (SE) | 2002-07-31 | — | — | EP | claimed |
| WO-2001027089-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-04-19 | — | — | WO | claimed |
| CN-100415724-C | Pyrimidine derivatives | ASTRAZENECA AB (SE) | 2008-09-03 | — | — | CN | disclosed |
| US-6846827-B1 | Pyrimidine derivatives | ASTRAZENECA AB (SE) | 2005-01-25 | — | — | US | disclosed |
| EP-1226126-B1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2005-01-05 | — | — | EP | disclosed |
| CN-1378537-A | Pyrimidine derivatives | ASTRAZENECA AB (SE) | 2002-11-06 | — | — | CN | disclosed |
| EP-1226126-A1 | PYRIMIDINE DERIVATIVES | AstraZeneca AB (SE) | 2002-07-31 | — | — | EP | disclosed |
| WO-2001027089-A1 | PYRIMIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-04-19 | — | — | WO | disclosed |