⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1439651 | 1.00 | — | — | |
| SCHEMBL1440132 | 0.83 | — | — | |
| SCHEMBL18349433 | 0.82 | HTT (0.31) | — | |
| SCHEMBL1440010 | 0.75 | NR1H2 (0.35) | — | |
| SCHEMBL26789869 | 0.75 | NR1H2 (0.35) | — | |
| SCHEMBL1439328 | 0.75 | NR1H2 (0.35) | — | |
| SCHEMBL9383870 | 0.75 | NR1H2 (0.35) | — | |
| SCHEMBL3945766 | 0.75 | MMP2 (0.35) | — | |
| SCHEMBL26086744 | 0.75 | MMP2 (0.35) | — | |
| SCHEMBL3249508 | 0.75 | MMP2 (0.35) | — |
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-2473502-A1 | HETEROARYL COMPOUNDS AS KINASE INHIBITORS | Novartis AG (CH) | 2012-07-11 | — | — | EP | disclosed |
| EP-2473499-A1 | BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES | Novartis AG (CH) | 2012-07-11 | — | — | EP | disclosed |
| WO-2011026911-A1 | BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES | NOVARTIS AG (CH) | 2011-03-10 | — | — | WO | disclosed |
| WO-2011026917-A1 | HETEROARYL COMPOUNDS AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2011-03-10 | — | — | WO | disclosed |