⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2485782 | 0.87 | PDE10A (0.51) | — | |
| SCHEMBL13282515 | 0.84 | — | — | |
| SCHEMBL13282540 | 0.82 | — | — | |
| SCHEMBL13282520 | 0.81 | PDE10A (0.57) | — | |
| SCHEMBL13282545 | 0.80 | SCN9A (0.47) | — | |
| SCHEMBL8467578 | 0.80 | KMT2A (0.63) | — | |
| SCHEMBL13282541 | 0.79 | GRM5 (0.48) | — | |
| SCHEMBL2486840 | 0.79 | PDE10A (0.61) | — | |
| SCHEMBL2485064 | 0.79 | PDE10A (0.58) | — | |
| SCHEMBL2485035 | 0.79 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010077992-A1 | AMINOPYRIDINE AND CARBOXYPYRIDINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS | AMGEN INC. (US) | 2010-07-08 | — | — | WO | disclosed |