⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6632672 | 0.82 | PDE4B (0.31) | — | |
| SCHEMBL16939953 | 0.81 | — | — | |
| SCHEMBL6631181 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL294985 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL6827010 | 0.75 | CYP2C9 (0.33) | — | |
| SCHEMBL12728112 | 0.75 | CYP2C9 (0.33) | — | |
| SCHEMBL38657611 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL3647529 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL31160358 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL14700231 | 0.69 | — | — |
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 5 patents. 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 |
| EP-2953943-B1 | SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | BOEHRINGER INGELHEIM INT (DE) | 2017-04-12 | — | — | EP | disclosed |
| EP-0974602-B1 | Catalyst and process for hydrogenating olefinically unsaturated compound | JSR CORP (JP) | 2004-01-02 | — | — | EP | disclosed |
| US-6291596-B1 | CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT | JSR CORPORATION (JP) | 2001-09-18 | — | — | US | disclosed |
| EP-0974602-A1 | Catalyst and process for hydrogenating olefinically unsaturated compound | JSR Corporation (JP) | 2000-01-26 | — | — | EP | disclosed |