⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19723229 | 1.00 | — | — | |
| SCHEMBL17488360 | 1.00 | — | — | |
| SCHEMBL18502882 | 0.88 | ADH1B (0.32) | — | |
| SCHEMBL21386086 | 0.88 | ADH1B (0.32) | — | |
| SCHEMBL6142299 | 0.84 | IRAK4 (0.34) | — | |
| SCHEMBL14724552 | 0.84 | IRAK4 (0.34) | — | |
| SCHEMBL8214008 | 0.84 | IRAK4 (0.34) | — | |
| SCHEMBL20159973 | 0.81 | — | — | |
| SCHEMBL13400421 | 0.81 | — | — | |
| SCHEMBL10109671 | 0.78 | IRAK4 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9458113-B2 | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-10-04 | — | — | US | disclosed |
| US-9458113-B2 | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-10-04 | — | — | US | disclosed |
| US-20160031830-A1 | SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-02-04 | — | — | US | disclosed |
| US-20160031830-A1 | SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-02-04 | — | — | US | disclosed |