⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25356175 | 0.95 | — | — | |
| SCHEMBL25246055 | 0.92 | CA1 (0.39) | — | |
| SCHEMBL9297263 | 0.92 | — | — | |
| SCHEMBL19181540 | 0.90 | CA1 (0.37) | — | |
| SCHEMBL158642 | 0.90 | — | — | |
| SCHEMBL6322553 | 0.87 | — | — | |
| SCHEMBL25244924 | 0.87 | CA1 (0.39) | — | |
| SCHEMBL7462821 | 0.85 | — | — | |
| SCHEMBL156244 | 0.85 | — | — | |
| SCHEMBL25355176 | 0.84 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1534274-A1 | COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | Warner-Lambert Company LLC (US) | 2005-06-01 | — | — | EP | disclosed |
| EP-1525030-A1 | COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB | Warner-Lambert Company LLC (US) | 2005-04-27 | — | — | EP | disclosed |
| US-20040023969-A1 | Combination of an allosteric alkyne inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib | ROARK WILLIAM HOWARD (US) | 2004-02-05 | — | — | US | disclosed |
| US-20040019055-A1 | Combination of an allosteric alkyne inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib | ROARK WILLIAM HOWARD (US) | 2004-01-29 | — | — | US | disclosed |
| WO-2004006914-A1 | COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |
| WO-2004007025-A1 | COMBINATION OF AN ALLOSTERIC ALKYNE INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 THAT IS NOT CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |