⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20565068 | 0.72 | — | — | |
| SCHEMBL2025380 | 0.69 | HTR2A (0.31) | — | |
| SCHEMBL9776175 | 0.69 | HTR2A (0.31) | — | |
| SCHEMBL2503689 | 0.69 | — | — | |
| SCHEMBL2025725 | 0.69 | HTR2A (0.31) | — | |
| SCHEMBL2025382 | 0.69 | HTR2A (0.31) | — | |
| SCHEMBL12283997 | 0.69 | HTR2A (0.31) | — | |
| SCHEMBL1920833 | 0.67 | HTR2A (0.33) | — | |
| SCHEMBL19874516 | 0.67 | — | — | |
| SCHEMBL13362157 | 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 4 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-8022205-B2 | Pyrimidine derivatives as PI3K inhibitor and use thereof | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2011-09-20 | — | — | US | 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 |