⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6733044 | 0.89 | PTGS2 (0.33) | — | |
| SCHEMBL6731867 | 0.88 | NR1H2 (0.34) | — | |
| SCHEMBL6741321 | 0.87 | PTGS2 (0.33) | — | |
| SCHEMBL6729586 | 0.86 | PTGS2 (0.34) | — | |
| SCHEMBL6735832 | 0.85 | PTGS2 (0.33) | — | |
| SCHEMBL6736959 | 0.84 | PTGS2 (0.32) | — | |
| SCHEMBL6733002 | 0.84 | ACLY (0.41) | — | |
| SCHEMBL6733488 | 0.84 | PTGS2 (0.43) | — | |
| SCHEMBL6737306 | 0.82 | PTGS2 (0.41) | — | |
| SCHEMBL6732652 | 0.82 | PTGS2 (0.45) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040138261-A1 | Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation | PHARMACIA CORPORATION | 2004-07-15 | — | — | US | disclosed |
| US-6673818-B2 | TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER | PHARMACIA CORPORATION | 2004-01-06 | — | — | US | disclosed |
| US-20030149078-A1 | Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation | PHARMACIA CORPORATION | 2003-08-07 | — | — | US | disclosed |
| US-20030032657-A1 | Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation | PHARMACIA CORPORATION | 2003-02-13 | — | — | US | disclosed |
| EP-1251126-A2 | Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation | Pharmacia Corporation (US) | 2002-10-23 | — | — | EP | disclosed |