⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13754484 | 0.86 | DAO (0.30) | — | |
| SCHEMBL5756561 | 0.77 | KDM5A (0.33) | — | |
| SCHEMBL4581201 | 0.76 | — | — | |
| SCHEMBL456256 | 0.75 | DAO (0.32) | — | |
| SCHEMBL75926 | 0.75 | — | — | |
| SCHEMBL447367 | 0.73 | MCL1 (0.33) | — | |
| SCHEMBL25423722 | 0.71 | — | — | |
| SCHEMBL4700498 | 0.71 | — | — | |
| SCHEMBL23079299 | 0.71 | — | — | |
| SCHEMBL447798 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8637500-B2 | Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors | AMGEN INC. (US) | 2014-01-28 | — | — | US | disclosed |
| US-20100160280-A1 | AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS | AMGEN INC. (US) | 2010-06-24 | — | — | US | disclosed |
| US-20100160280-A1 | AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS | AMGEN INC. (US) | 2010-06-24 | — | — | US | disclosed |