⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20463923 | 0.53 | — | — | |
| SCHEMBL4156321 | 0.50 | — | — | |
| SCHEMBL113547 | 0.47 | — | — | |
| Hydrochloric Acid SCHEMBL1775781 | 0.47 | — | — | |
| SCHEMBL12694973 | 0.47 | — | — | |
| SCHEMBL565222 | 0.47 | CYP1A2 (0.47) | — | |
| SCHEMBL1069 | 0.47 | — | — | |
| SCHEMBL8629808 | 0.47 | — | — | |
| SCHEMBL31175398 | 0.45 | — | — | |
| Charcoal, Activated SCHEMBL5440419 | 0.33 | — | — |
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-1480639-A1 | COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 | Warner-Lambert Company LLC (US) | 2004-12-01 | — | — | EP | disclosed |
| US-20030199567-A1 | Combinations of an alpha-2-delta ligand with a selective inhibitor of cyclooxygenase-2 | TAYLOR CHARLES PRICE (US) | 2003-10-23 | — | — | US | disclosed |
| WO-2003070237-A1 | COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 | WARNER-LAMBERT COMPANY LLC (US) | 2003-08-28 | — | — | WO | disclosed |