⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18924784 | 0.90 | — | — | |
| SCHEMBL6823774 | 0.88 | ADH1B (0.35) | — | |
| SCHEMBL19734600 | 0.84 | SMYD3 (0.35) | — | |
| SCHEMBL10641279 | 0.81 | MAPK1 (0.32) | — | |
| SCHEMBL10641095 | 0.78 | OPRM1 (0.32) | — | |
| SCHEMBL20678803 | 0.70 | — | — | |
| SCHEMBL20905642 | 0.68 | — | — | |
| SCHEMBL11871682 | 0.67 | CHRM2 (0.41) | — | |
| SCHEMBL21238917 | 0.64 | — | — | |
| SCHEMBL30366521 | 0.63 | — | — |
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 6 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-2964617-B1 | SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | BOEHRINGER INGELHEIM INT (DE) | 2017-04-12 | — | — | EP | disclosed |
| US-20100227846-A1 | SUBSTITUTED PYRAZOLE DERIVATIVE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-09 | — | — | US | disclosed |
| EP-2194045-A1 | SUBSTITUTED PYRAZOLE DERIVATIVE | Takeda Pharmaceutical Company Limited (JP) | 2010-06-09 | — | — | EP | disclosed |
| US-20090270359-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-29 | — | — | US | disclosed |
| US-7488752-B2 | nor-seco himbacine derivatives; thrombosis, anticoagulants, anticancer agents; antiinflammatory agents; anticholesterol agents; cardiovascular disorders; antiarrhythmia agents; antiischemic agents; strokes; antiarthritic agents | SCHERING CORPORATION (US) | 2009-02-10 | — | — | US | disclosed |