⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL194317 | 0.77 | THRB (0.30) | — | |
| SCHEMBL18398447 | 0.74 | — | — | |
| SCHEMBL168225 | 0.72 | — | — | |
| SCHEMBL13874292 | 0.71 | THRB (0.30) | — | |
| Hydrochloric Acid SCHEMBL16050192 | 0.70 | — | — | |
| SCHEMBL17821283 | 0.70 | — | — | |
| Benzene SCHEMBL19952997 | 0.70 | — | — | |
| Boric Acid SCHEMBL28707839 | 0.69 | — | — | |
| SCHEMBL18732183 | 0.69 | — | — | |
| SCHEMBL5837790 | 0.69 | — | — |
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-2419432-B9 | PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH LLC (US) | 2016-02-17 | — | — | EP | disclosed |
| US-8835429-B2 | Pyrimidine compounds, their use as mTOR kinase and Pl3 kinase inhibitors, and their syntheses | WYETH LLC (US) | 2014-09-16 | — | — | US | disclosed |
| EP-2419432-B1 | PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH LLC (US) | 2013-11-20 | — | — | EP | disclosed |
| US-20120134959-A1 | PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH LLC (US) | 2012-05-31 | — | — | US | disclosed |
| EP-2419432-A1 | PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | Wyeth LLC (US) | 2012-02-22 | — | — | EP | disclosed |
| WO-2010120998-A1 | PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH LLC (US) | 2010-10-21 | — | — | WO | disclosed |