⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL359800 | 0.92 | — | — | |
| SCHEMBL4783104 | 0.79 | — | — | |
| SCHEMBL24741443 | 0.71 | — | — | |
| SCHEMBL5184661 | 0.71 | — | — | |
| SCHEMBL18658857 | 0.71 | — | — | |
| SCHEMBL14908536 | 0.69 | — | — | |
| SCHEMBL9047920 | 0.67 | — | — | |
| SCHEMBL8906864 | 0.67 | — | — | |
| SCHEMBL19100153 | 0.67 | — | — | |
| SCHEMBL10957942 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016196955-A1 | Inhibitors of RAD52 Recombination Protein and Methods Using Same | DREXEL UNIVERSITY (US) | 2016-12-08 | — | — | WO | disclosed |
| EP-2135861-B1 | Process for the synthesis of the 7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one, and its application to the synthesis of ivabradine as well as its addition salts with a pharmaceutically acceptable acid | SERVIER LAB (FR) | 2014-07-30 | — | — | EP | disclosed |
| EP-2135861-A1 | Process for the synthesis of the 7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one, and its application to the synthesis of ivabradine as well as its addition salts with a pharmaceutically acceptable acid | Les Laboratoires Servier (FR) | 2009-12-23 | — | — | EP | disclosed |