⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4497167 | 0.89 | SLC6A12 (0.39) | — | |
| SCHEMBL1379607 | 0.88 | SLC6A12 (0.45) | — | |
| SCHEMBL8197251 | 0.82 | — | — | |
| SCHEMBL92858 | 0.82 | KDM4E (0.43) | — | |
| SCHEMBL22587458 | 0.82 | KDM4E (0.43) | — | |
| SCHEMBL7072429 | 0.78 | SLC6A12 (0.45) | — | |
| Acetic Acid SCHEMBL16498836 | 0.76 | KDM4E (0.41) | — | |
| SCHEMBL21085031 | 0.74 | SLC6A12 (0.43) | — | |
| SCHEMBL21085145 | 0.74 | SLC6A12 (0.39) | — | |
| SCHEMBL11150873 | 0.74 | SLC6A1 (0.38) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103980489-A | Low-melt-viscosity thermoplastic polyimide material and 3D printing moulding method thereof | CHINESE ACAD INST CHEMISTRY | 2014-08-13 | — | — | CN | claimed |
| US-20060040957-A1 | BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY | 2006-02-23 | — | — | US | disclosed |
| EP-1530475-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 | Warner-Lambert Company LLC (US) | 2005-05-18 | — | — | EP | disclosed |
| EP-1530467-A2 | COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | Warner-Lambert Company LLC (US) | 2005-05-18 | — | — | EP | disclosed |
| US-20040019053-A1 | Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib | ROARK WILLIAM HOWARD (US) | 2004-01-29 | — | — | US | disclosed |
| US-20040019054-A1 | Combination of an allosteric carboxylic 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-2004006912-A2 | COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |
| WO-2004006931-A2 | PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 | WARNER-LAMBERT COMPANY LLC (US) | 2004-01-22 | — | — | WO | disclosed |
| EP-1362054-A1 | BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002064599-A1 | BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2002-08-22 | — | — | WO | disclosed |