⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10577212 | 0.86 | HMGCR (0.55) | — | |
| SCHEMBL25337653 | 0.79 | — | — | |
| SCHEMBL704537 | 0.76 | — | — | |
| SCHEMBL10035701 | 0.76 | KDM4E (0.61) | — | |
| SCHEMBL4760957 | 0.76 | — | — | |
| SCHEMBL10577709 | 0.75 | HMGCR (0.44) | — | |
| SCHEMBL11720895 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL869206 | 0.75 | — | — | |
| SCHEMBL1395630 | 0.75 | — | — | |
| SCHEMBL21191663 | 0.74 | KDM4E (0.58) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1448202-A1 | COMBINATION OF A PDE4 OR PDE3/4 INHIBITOR AND AN ANTI-RHEUMATIC DRUG | ALTANA Pharma AG (DE) | 2004-08-25 | — | — | EP | claimed |
| WO-2003039552-A1 | COMBINATION OF PDE4 OR PDE3/4 INHIBITOR AND AN ANTI-RHEUMATIC DRUG | ALTANA PHARMA AG (DE) | 2003-05-15 | — | — | WO | claimed |