⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24215651 | 0.79 | HRH4 (0.46) | — | |
| SCHEMBL27408801 | 0.78 | HRH4 (0.48) | — | |
| SCHEMBL6647445 | 0.76 | — | — | |
| SCHEMBL625062 | 0.75 | — | — | |
| SCHEMBL24328902 | 0.73 | CPB2 (0.47) | — | |
| SCHEMBL24328256 | 0.73 | CPB2 (0.47) | — | |
| SCHEMBL801590 | 0.70 | — | — | |
| SCHEMBL8820329 | 0.70 | HRH4 (0.59) | — | |
| SCHEMBL2102321 | 0.68 | ADRA2A (0.60) | — | |
| SCHEMBL11664898 | 0.68 | HRH3 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3865484-A1 | PDE9 INHIBITOR WITH IMIDAZO PYRAZINONE BACKBONE FOR TREATMENT OF PERIPHERAL DISEASES | H. Lundbeck A/S (DK) | 2021-08-18 | — | — | EP | disclosed |
| EP-3178820-B1 | PDE9- INHIBITORS WITH IMIDAZO TRIAZINONE BACKBONE | H LUNDBECK AS (DK) | 2017-12-20 | — | — | EP | disclosed |