⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6127948 | 0.67 | — | — | |
| SCHEMBL2734734 | 0.62 | — | — | |
| SCHEMBL22911098 | 0.60 | — | — | |
| SCHEMBL2055531 | 0.58 | — | — | |
| SCHEMBL1920504 | 0.58 | — | — | |
| SCHEMBL18708672 | 0.58 | — | — | |
| SCHEMBL4240881 | 0.55 | USP2 (0.31) | — | |
| SCHEMBL927779 | 0.54 | — | — | |
| SCHEMBL21536762 | 0.52 | — | — | |
| SCHEMBL10187690 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2114951-B9 | NOVEL PHOSPHODIESTERASE INHIBITORS | LEO PHARMA AS (DK) | 2015-09-02 | — | — | EP | disclosed |
| US-8338431-B2 | Phosphodiesterase inhibitors | LEO PHARMA A/S (DK) | 2012-12-25 | — | — | US | disclosed |
| US-20100099688-A1 | NOVEL PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2010-04-22 | — | — | US | disclosed |
| EP-2114951-A2 | NOVEL PHOSPHODIESTERASE INHIBITORS | Leo Pharma A/S (DK) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008104175-A2 | NOVEL PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2008-09-04 | — | — | WO | disclosed |