⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2022500 | 0.83 | MMP1 (0.32) | — | |
| SCHEMBL2020522 | 0.68 | KMT2A (0.36) | — | |
| SCHEMBL8577397 | 0.67 | LAP3 (0.42) | — | |
| SCHEMBL5052075 | 0.64 | FDPS (0.36) | — | |
| SCHEMBL30809407 | 0.63 | KMT2A (0.36) | — | |
| SCHEMBL5059409 | 0.61 | KDM4E (0.38) | — | |
| SCHEMBL29197134 | 0.59 | S1PR2 (0.32) | — | |
| SCHEMBL3231825 | 0.59 | PGK1 (0.42) | — | |
| SCHEMBL11761874 | 0.59 | PTPN1 (0.36) | — | |
| SCHEMBL1350091 | 0.58 | LMNA (0.30) | — |
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-2350027-A1 | TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS | Mitsubishi Tanabe Pharma Corporation (JP) | 2011-08-03 | — | — | EP | disclosed |
| US-20110160206-A1 | TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2011-06-30 | — | — | US | disclosed |