⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1004241 | 0.71 | — | — | |
| SCHEMBL17035596 | 0.71 | — | — | |
| SCHEMBL2970632 | 0.63 | — | — | |
| SCHEMBL10288442 | 0.61 | — | — | |
| SCHEMBL12663270 | 0.59 | — | — | |
| SCHEMBL862512 | 0.58 | — | — | |
| SCHEMBL9755265 | 0.58 | CA1 (0.31) | — | |
| SCHEMBL3650504 | 0.55 | — | — | |
| SCHEMBL27527743 | 0.55 | — | — | |
| SCHEMBL20124776 | 0.55 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9221807-B2 | Substituted pyridones and pyrazinones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-12-29 | — | — | US | disclosed |
| US-20150239875-A1 | SUBSTITUTED PYRIDONES AND PYRAZINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-08-27 | — | — | US | disclosed |