⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14306755 | 0.87 | — | — | |
| SCHEMBL6865358 | 0.83 | MAP3K7 (0.30) | — | |
| SCHEMBL12202544 | 0.83 | MAP3K7 (0.30) | — | |
| SCHEMBL3159235 | 0.83 | APAF1 (0.40) | — | |
| SCHEMBL12568355 | 0.83 | MAP3K7 (0.30) | — | |
| SCHEMBL3670921 | 0.83 | APAF1 (0.40) | — | |
| SCHEMBL3156583 | 0.83 | APAF1 (0.40) | — | |
| SCHEMBL26211539 | 0.81 | EPHX1 (0.31) | — | |
| SCHEMBL14821547 | 0.81 | — | — | |
| SCHEMBL10276318 | 0.81 | EPHX1 (0.31) | — |
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-2426128-A1 | Carbostyril compound | Otsuka Pharmaceutical Co., Limited (JP) | 2012-03-07 | — | — | EP | disclosed |