⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16193689 | 0.72 | — | — | |
| SCHEMBL5729999 | 0.71 | — | — | |
| SCHEMBL16194137 | 0.67 | — | — | |
| SCHEMBL31703743 | 0.61 | — | — | |
| SCHEMBL11220829 | 0.61 | — | — | |
| SCHEMBL16792383 | 0.61 | — | — | |
| SCHEMBL1414001 | 0.58 | — | — | |
| SCHEMBL29407644 | 0.52 | — | — | |
| SCHEMBL13857850 | 0.52 | — | — | |
| SCHEMBL166211 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20150031674-A1 | SERINE/THREONINE KINASE INHIBITORS | GENENTECH, INC. (US) | 2015-01-29 | — | — | US | claimed |
| WO-2015011252-A1 | PYRIMIDINE-PYRIDINONE SERINE/THREONINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-01-29 | — | — | WO | claimed |
| WO-2015011252-A1 | PYRIMIDINE-PYRIDINONE SERINE/THREONINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-01-29 | — | — | WO | disclosed |
| US-20150031674-A1 | SERINE/THREONINE KINASE INHIBITORS | GENENTECH, INC. (US) | 2015-01-29 | — | — | US | disclosed |