⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15402194 | 0.82 | — | — | |
| SCHEMBL11247648 | 0.81 | — | — | |
| SCHEMBL15404327 | 0.80 | — | — | |
| Silver SCHEMBL32663029 | 0.78 | — | — | |
| SCHEMBL15404247 | 0.78 | — | — | |
| SCHEMBL7751096 | 0.76 | CES2 (0.31) | — | |
| SCHEMBL246957 | 0.76 | — | — | |
| SCHEMBL22976 | 0.75 | — | — | |
| SCHEMBL6054656 | 0.74 | — | — | |
| SCHEMBL7751143 | 0.74 | CES2 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2050749-B1 | PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2017-11-22 | — | — | EP | disclosed |
| US-20100069629-A1 | PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2010-03-18 | — | — | US | disclosed |
| EP-2050749-A1 | PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-04-22 | — | — | EP | disclosed |