⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22023039 | 0.63 | — | — | |
| SCHEMBL2929595 | 0.60 | — | — | |
| SCHEMBL910894 | 0.58 | — | — | |
| SCHEMBL21957678 | 0.58 | — | — | |
| SCHEMBL4039905 | 0.56 | — | — | |
| SCHEMBL4720587 | 0.56 | — | — | |
| SCHEMBL5524772 | 0.56 | — | — | |
| SCHEMBL2691041 | 0.56 | — | — | |
| SCHEMBL18689511 | 0.56 | — | — | |
| SCHEMBL2859010 | 0.55 | ALDH1A1 (0.39) | — |
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-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 |
| 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 |