⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2491333 | 0.80 | — | — | |
| SCHEMBL4475232 | 0.72 | CYP2A6 (0.33) | — | |
| SCHEMBL7822926 | 0.69 | CYP2A6 (0.52) | — | |
| SCHEMBL15561512 | 0.69 | POLB (0.33) | — | |
| SCHEMBL1304391 | 0.68 | — | — | |
| SCHEMBL15696747 | 0.68 | — | — | |
| SCHEMBL981790 | 0.67 | — | — | |
| SCHEMBL9989026 | 0.65 | — | — | |
| SCHEMBL73117 | 0.65 | — | — | |
| SCHEMBL989999 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8247418-B2 | Pyrazine compounds as phosphodiesterase 10 inhibitors | AMGEN INC. (US) | 2012-08-21 | — | — | US | disclosed |
| US-20110160202-A1 | PYRAZINE COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS | AMGEN INC. (US) | 2011-06-30 | — | — | US | disclosed |