⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22529462 | 0.70 | — | — | |
| SCHEMBL19204875 | 0.69 | — | — | |
| SCHEMBL16685015 | 0.65 | — | — | |
| SCHEMBL1927623 | 0.65 | — | — | |
| SCHEMBL22836868 | 0.65 | — | — | |
| SCHEMBL2697579 | 0.64 | — | — | |
| SCHEMBL5100152 | 0.61 | — | — | |
| SCHEMBL1645145 | 0.61 | — | — | |
| SCHEMBL9079389 | 0.59 | — | — | |
| SCHEMBL1917685 | 0.58 | KDM4E (0.33) | — |
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-2519102-A2 | NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS | Development Center For Biotechnology (TW) | 2012-11-07 | — | — | EP | disclosed |
| WO-2011080568-A2 | NOVEL PYRIMIDINE COMPOUNDS AS MTOR AND P13K INHIBITORS | DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) | 2011-07-07 | — | — | WO | disclosed |