⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3343093 | 0.87 | — | — | |
| SCHEMBL2487368 | 0.84 | — | — | |
| Trifluoroacetic Acid SCHEMBL3341960 | 0.80 | — | — | |
| SCHEMBL2485851 | 0.79 | — | — | |
| Trifluoroacetic Acid SCHEMBL3340577 | 0.79 | — | — | |
| SCHEMBL2485197 | 0.79 | — | — | |
| Trifluoroacetic Acid SCHEMBL3339809 | 0.79 | — | — | |
| Trifluoroacetic Acid SCHEMBL3346006 | 0.79 | — | — | |
| SCHEMBL2484861 | 0.78 | — | — | |
| Trifluoroacetic Acid SCHEMBL3343236 | 0.78 | PDE10A (0.58) | — |
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 |
| EP-2376455-B1 | AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS | AMGEN INC (US) | 2012-11-14 | — | — | EP | disclosed |
| US-20100160280-A1 | AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS | AMGEN INC. (US) | 2010-06-24 | — | — | US | disclosed |