⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21167344 | 0.78 | — | — | |
| SCHEMBL28319712 | 0.75 | — | — | |
| Cis-Urocanic Acid SCHEMBL338885 | 0.71 | CYP3A4 (1.00) | — | |
| Cis-Urocanic Acid SCHEMBL1136889 | 0.71 | CYP3A4 (1.00) | — | |
| SCHEMBL19059633 | 0.70 | KDM4E (0.55) | — | |
| SCHEMBL15668642 | 0.69 | CYP3A4 (0.70) | — | |
| SCHEMBL10149598 | 0.68 | AOC1 (0.50) | — | |
| SCHEMBL19361933 | 0.67 | — | — | |
| SCHEMBL543476 | 0.67 | — | — | |
| SCHEMBL11469459 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1945628-A1 | NEW PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AS WELL AS THE USE OF PYRIMIDINE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR PREVENTION AND/OR TREATMENT OF ALZHEIMER'S DISEASE | AstraZeneca AB (SE) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007040440-A1 | NEW PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AS WELL AS THE USE OF PYRIMIDINE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR PREVENTION AND/OR TREATMENT OF ALZHEIMER’S DISEASE | ASTRAZENECA AB (SE) | 2007-04-12 | — | — | WO | disclosed |