⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4930938 | 0.79 | — | — | |
| SCHEMBL19539998 | 0.77 | — | — | |
| SCHEMBL21377013 | 0.77 | CA12 (0.40) | — | |
| SCHEMBL8373946 | 0.75 | — | — | |
| SCHEMBL2020312 | 0.74 | — | — | |
| SCHEMBL1872567 | 0.74 | CHRM2 (0.31) | — | |
| SCHEMBL2020314 | 0.74 | — | — | |
| SCHEMBL18923094 | 0.74 | CHRM2 (0.31) | — | |
| SCHEMBL16403673 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL817372 | 0.73 | ALDH1A1 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1856059-B1 | MULTIMERS OF PYRIMIDINONE DERIVATIVES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS | ARGENTA DISCOVERY LTD (GB) | 2010-05-19 | — | — | EP | disclosed |
| US-20090111795-A1 | Multimers of Heterocyclic Compounds and Their Use | ARGENTA DISCOVERY LIMITED (GB) | 2009-04-30 | — | — | US | disclosed |
| WO-2007042815-A1 | COMPOUNDS CONTAINING MORE THAN ONE HUMAN NEUTROPHIL ELASTASE INHIBITING MOIETY FOR USE IN THE TREATMENT OF RESPIRATORY DISEASES | ARGENTA DISCOVERY LIMITED (GB) | 2007-04-19 | — | — | WO | disclosed |