⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1209106 | 0.77 | — | — | |
| SCHEMBL28922581 | 0.75 | — | — | |
| SCHEMBL31120308 | 0.75 | — | — | |
| SCHEMBL4696775 | 0.75 | — | — | |
| SCHEMBL9819385 | 0.75 | — | — | |
| SCHEMBL149195 | 0.73 | ALDH1A1 (0.53) | — | |
| SCHEMBL28112138 | 0.72 | TRPM8 (0.47) | — | |
| SCHEMBL1799520 | 0.71 | — | — | |
| SCHEMBL12403896 | 0.71 | TRPM8 (0.52) | — | |
| SCHEMBL9911346 | 0.71 | TRPM8 (1.00) | — |
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-2945943-B1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-05-30 | — | — | EP | disclosed |