⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15058806 | 0.90 | LMNA (0.50) | — | |
| SCHEMBL2125917 | 0.90 | LMNA (0.50) | — | |
| SCHEMBL3862180 | 0.88 | HPGD (0.45) | — | |
| SCHEMBL7904840 | 0.87 | HPGD (0.44) | — | |
| SCHEMBL27157468 | 0.85 | PRKCA (0.35) | — | |
| SCHEMBL21551577 | 0.84 | SSTR4 (0.35) | — | |
| SCHEMBL21551575 | 0.84 | SSTR4 (0.35) | — | |
| SCHEMBL3070099 | 0.82 | — | — | |
| SCHEMBL28619795 | 0.82 | — | — | |
| SCHEMBL28543772 | 0.81 | GLA (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2590984-B1 | ANELLATED PYRIDINE COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2015-01-28 | — | — | EP | disclosed |
| US-8470828-B2 | Anellated pyridine compounds | HOFFMANN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | disclosed |
| EP-2590984-A1 | ANELLATED PYRIDINE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004206-A1 | ANELLATED PYRIDINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-12 | — | — | WO | disclosed |
| US-20120010201-A1 | NOVEL ANELLATED PYRIDINE COMPOUNDS | HOFFMANN-LA ROCHE INC. | 2012-01-12 | — | — | US | disclosed |