⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3196556 | 1.00 | — | — | |
| SCHEMBL12334740 | 0.85 | GBA1 (0.55) | — | |
| SCHEMBL10082058 | 0.85 | GBA1 (0.55) | — | |
| SCHEMBL403895 | 0.85 | GBA1 (0.55) | — | |
| SCHEMBL26268116 | 0.85 | GBA1 (0.55) | — | |
| SCHEMBL6335676 | 0.83 | GABRR1 (0.43) | — | |
| SCHEMBL4445650 | 0.83 | GABRR1 (0.43) | — | |
| SCHEMBL2811192 | 0.83 | GABRR1 (0.43) | — | |
| SCHEMBL22160590 | 0.83 | GABRR1 (0.43) | — | |
| SCHEMBL13221050 | 0.83 | GABRR1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012101063-A1 | N-ACYL PYRIDINE BIARYL COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |
| WO-2012101064-A1 | N-ACYL PYRIMIDINE BIARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS | NOVARTIS AG (CH) | 2012-08-02 | — | — | WO | disclosed |
| EP-2473499-A1 | BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES | Novartis AG (CH) | 2012-07-11 | — | — | EP | disclosed |