⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26721259 | 1.00 | — | — | |
| SCHEMBL13958339 | 1.00 | — | — | |
| SCHEMBL2291958 | 0.72 | — | — | |
| SCHEMBL12829162 | 0.72 | — | — | |
| SCHEMBL4175207 | 0.72 | — | — | |
| SCHEMBL13807049 | 0.72 | — | — | |
| SCHEMBL12671592 | 0.72 | — | — | |
| SCHEMBL910819 | 0.72 | — | — | |
| SCHEMBL28447382 | 0.72 | — | — | |
| SCHEMBL19988476 | 0.72 | — | — |
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-9993477-B2 | Substituted imidazo[1,5-a]pyrazines as PDE9 inhibitors | H. LUNDBECK A/S (DK) | 2018-06-12 | — | — | US | disclosed |
| US-20170173018-A1 | SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS PDE9 INHIBITORS | SUNDIA MEDITECH COMPANY, LTD. (CN) | 2017-06-22 | — | — | US | disclosed |