⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28924388 | 0.79 | — | — | |
| SCHEMBL2486630 | 0.78 | — | — | |
| SCHEMBL5011913 | 0.78 | — | — | |
| SCHEMBL6902689 | 0.76 | — | — | |
| SCHEMBL5252987 | 0.71 | — | — | |
| SCHEMBL8405244 | 0.70 | — | — | |
| SCHEMBL4976486 | 0.69 | — | — | |
| SCHEMBL4619066 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL9936758 | 0.69 | — | — | |
| SCHEMBL6623934 | 0.69 | — | — |
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-1385524-A4 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | ABBOTT GMBH & CO KG (DE) | 2006-02-01 | — | — | EP | disclosed |
| EP-1385524-A1 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | Abbott GmbH & Co. KG (DE) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002080926-A1 | PYRAZOLOPYRIMIDINES AS THERAPEUTIC AGENTS | ABBOTT GMBH & CO. KG (DE) | 2002-10-17 | — | — | WO | disclosed |