⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid Methyl Ester SCHEMBL16144520 | 0.83 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL34465069 | 0.80 | — | — | |
| SCHEMBL704358 | 0.72 | — | — | |
| SCHEMBL1331756 | 0.72 | — | — | |
| SCHEMBL16013775 | 0.72 | — | — | |
| SCHEMBL1331778 | 0.72 | — | — | |
| SCHEMBL1330476 | 0.72 | — | — | |
| Ethaneperoxoic Acid SCHEMBL31411245 | 0.69 | — | — | |
| SCHEMBL23829869 | 0.67 | — | — | |
| SCHEMBL3196154 | 0.67 | — | — |
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-2603509-A1 | CRYSTALLINE FORM OF PYRIMIDIO[6,1-A]ISOQUINOLIN-4-ONE COMPOUND | Verona Pharma PLC (GB) | 2013-06-19 | — | — | EP | disclosed |
| WO-2012020016-A1 | CRYSTALLINE FORM OF PYRIMIDIO[6,1-A]ISOQUINOLIN-4-ONE COMPOUND | VERONA PHARMA PLC (GB) | 2012-02-16 | — | — | WO | disclosed |