⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14795224 | 0.95 | CYP2C19 (0.44) | — | |
| SCHEMBL4770611 | 0.92 | CYP2C19 (0.47) | — | |
| SCHEMBL1968142 | 0.78 | KDM4E (0.43) | — | |
| SCHEMBL10280046 | 0.77 | L3MBTL1 (0.33) | — | |
| SCHEMBL322137 | 0.76 | — | — | |
| SCHEMBL20520325 | 0.75 | L3MBTL1 (0.35) | — | |
| SCHEMBL17446962 | 0.74 | — | — | |
| SCHEMBL15774512 | 0.74 | — | — | |
| SCHEMBL23277774 | 0.72 | GRIN2D (0.38) | — | |
| SCHEMBL10232783 | 0.72 | CYP2D6 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2590984-A1 | ANELLATED PYRIDINE COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2013-05-15 | — | — | EP | claimed |
| WO-2012004206-A1 | ANELLATED PYRIDINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-01-12 | — | — | WO | claimed |
| WO-2011161009-A1 | ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-12-29 | — | — | WO | claimed |