⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2852670 | 0.85 | EPHX1 (0.38) | — | |
| SCHEMBL822641 | 0.78 | — | — | |
| SCHEMBL4126953 | 0.77 | — | — | |
| SCHEMBL9839303 | 0.76 | — | — | |
| SCHEMBL15001315 | 0.76 | — | — | |
| SCHEMBL693632 | 0.76 | — | — | |
| SCHEMBL15638523 | 0.76 | — | — | |
| SCHEMBL20545047 | 0.73 | — | — | |
| SCHEMBL23634735 | 0.73 | EPHX1 (0.30) | — | |
| SCHEMBL16689100 | 0.73 | EPHX1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116332910-A | 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof | 江苏威凯尔医药科技有限公司 | 2023-06-27 | — | — | CN | disclosed |
| EP-2563770-B1 | BIARYL PHOSPHODIESTERASE INHIBITORS | LEO PHARMA AS (DK) | 2016-03-23 | — | — | EP | disclosed |
| US-9051290-B2 | Biaryl phosphodiesterase inhibitors | LEO PHARMA A/S (DK) | 2015-06-09 | — | — | US | disclosed |
| US-20130059853-A1 | BIARYL PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2013-03-07 | — | — | US | disclosed |
| EP-2563770-A1 | BIARYL PHOSPHODIESTERASE INHIBITORS | Leo Pharma A/S (DK) | 2013-03-06 | — | — | EP | disclosed |
| WO-2011134468-A1 | BIARYL PHOSPHODIESTERASE INHIBITORS | LEO PHARMA A/S (DK) | 2011-11-03 | — | — | WO | disclosed |