⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6954520 | 0.74 | — | — | |
| SCHEMBL28238566 | 0.74 | — | — | |
| SCHEMBL14720889 | 0.74 | — | — | |
| SCHEMBL473531 | 0.74 | — | — | |
| SCHEMBL5476461 | 0.74 | — | — | |
| SCHEMBL28294709 | 0.74 | — | — | |
| SCHEMBL4456910 | 0.73 | EPHX2 (0.33) | — | |
| SCHEMBL9393516 | 0.73 | EPHX2 (0.33) | — | |
| SCHEMBL18773606 | 0.73 | EPHX2 (0.33) | — | |
| SCHEMBL29700 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108164513-A | Substituted oxo pyridine derivative and its purposes in terms of cardiovascular disorder is treated | 拜耳制药股份公司 | 2018-06-15 | — | — | CN | disclosed |
| CN-105164122-B | Substituted oxopyridine derivatives and their use in the treatment of cardiovascular disorders | 拜耳制药股份公司 | 2018-02-02 | — | — | CN | disclosed |
| CN-107614501-A | Hydroxyl purine compound and application thereof | 广东众生药业股份有限公司 | 2018-01-19 | — | — | CN | disclosed |
| CN-105164122-A | Substituted oxopyridine derivatives and their use in the treatment of cardiovascular disorders | Bayer Pharma AG | 2015-12-16 | — | — | CN | disclosed |