⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28665764 | 0.71 | — | — | |
| SCHEMBL457081 | 0.69 | KDM4E (0.35) | — | |
| SCHEMBL9901185 | 0.65 | KDM4E (0.38) | — | |
| SCHEMBL3279288 | 0.65 | EGFR (0.34) | — | |
| SCHEMBL7011802 | 0.64 | — | — | |
| SCHEMBL5894455 | 0.60 | ALDH1A1 (0.41) | — | |
| SCHEMBL14989378 | 0.58 | — | — | |
| SCHEMBL88851 | 0.56 | KDM4A (0.39) | — | |
| SCHEMBL29428806 | 0.56 | KDM4A (0.39) | — | |
| SCHEMBL30237822 | 0.56 | KDM4A (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-6001790-A | — | — | None | — | — | JP | disclosed |
| JP-H061790-A | SUBSTITUTED PYRAZINO(2,3-D)PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS | MERCK & CO INC | 1994-01-11 | — | — | JP | disclosed |
| EP-0537937-A2 | Substituted pyrazino 2,3-D pyrimidinones as angiotensin II antagonists | MERCK & CO. INC. (US) | 1993-04-21 | — | — | EP | disclosed |
| EP-0537937-A2 | Substituted pyrazino 2,3-D pyrimidinones as angiotensin II antagonists | MERCK & CO. INC. (US) | 1993-04-21 | — | — | EP | disclosed |