⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22239619 | 0.77 | — | — | |
| SCHEMBL18931643 | 0.69 | — | — | |
| SCHEMBL22925867 | 0.66 | GAA (0.30) | — | |
| SCHEMBL21583443 | 0.64 | TDP1 (0.34) | — | |
| SCHEMBL18590837 | 0.64 | — | — | |
| SCHEMBL12684204 | 0.63 | — | — | |
| SCHEMBL20330281 | 0.62 | — | — | |
| SCHEMBL23175586 | 0.62 | ALOX5AP (0.33) | — | |
| SCHEMBL1936126 | 0.61 | — | — | |
| SCHEMBL8056065 | 0.61 | HDAC1 (0.32) | — |
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-3604308-A1 | SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | Boehringer Ingelheim International GmbH (DE) | 2020-02-05 | — | — | EP | disclosed |