⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22650915 | 0.70 | — | — | |
| SCHEMBL21414335 | 0.68 | — | — | |
| SCHEMBL19413679 | 0.65 | — | — | |
| SCHEMBL20669656 | 0.63 | — | — | |
| SCHEMBL25070162 | 0.63 | — | — | |
| SCHEMBL166711 | 0.62 | NOS1 (0.38) | — | |
| SCHEMBL166710 | 0.62 | NOS1 (0.38) | — | |
| SCHEMBL17489170 | 0.62 | NOS1 (0.38) | — | |
| SCHEMBL18567413 | 0.60 | — | — | |
| SCHEMBL23960910 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3892622-A1 | COMPOUNDS HAVING PDE9A INHIBITORY ACTIVITY, AND PHARMACEUTICAL USES THEREOF | Korea Research Institute of Chemical Technology (KR) | 2021-10-13 | — | — | EP | disclosed |