⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20486905 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL284946 | 0.79 | TSHR (0.50) | — | |
| SCHEMBL1042105 | 0.78 | — | — | |
| SCHEMBL22362900 | 0.76 | TSHR (0.31) | — | |
| SCHEMBL9529779 | 0.74 | — | — | |
| SCHEMBL20486967 | 0.74 | — | — | |
| SCHEMBL7370103 | 0.74 | — | — | |
| SCHEMBL28383052 | 0.74 | — | — | |
| SCHEMBL9201518 | 0.74 | — | — | |
| SCHEMBL5402636 | 0.74 | — | — |
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-0591528-B1 | PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVE AND ANTI-INFLAMMATORY CONTAINING THE SAME | OTSUKA PHARMA CO LTD (JP) | 1998-12-23 | — | — | EP | disclosed |
| US-5688949-A | CYCLOOXYGENASE INHIBITORS | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1997-11-18 | — | — | US | disclosed |
| EP-0591528-A1 | PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVE AND ANTI-INFLAMMATORY CONTAINING THE SAME | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 1994-04-13 | — | — | EP | disclosed |