⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18924687 | 1.00 | — | — | |
| SCHEMBL772329 | 1.00 | — | — | |
| SCHEMBL18724693 | 0.86 | — | — | |
| SCHEMBL1911382 | 0.86 | — | — | |
| SCHEMBL18724761 | 0.86 | — | — | |
| SCHEMBL361400 | 0.85 | — | — | |
| SCHEMBL16609932 | 0.79 | — | — | |
| SCHEMBL27936411 | 0.77 | — | — | |
| SCHEMBL12802126 | 0.76 | MAPK1 (0.33) | — | |
| SCHEMBL10866589 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9670166-B2 | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-06-06 | — | — | US | disclosed |