⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5868335 | 0.72 | — | — | |
| SCHEMBL18029941 | 0.72 | — | — | |
| SCHEMBL10581109 | 0.70 | — | — | |
| SCHEMBL28195448 | 0.70 | CYP3A4 (0.34) | — | |
| SCHEMBL12834803 | 0.67 | — | — | |
| SCHEMBL26088608 | 0.67 | — | — | |
| SCHEMBL13625216 | 0.67 | — | — | |
| SCHEMBL16889144 | 0.67 | GBA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL28115986 | 0.65 | — | — | |
| SCHEMBL19043982 | 0.65 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0863891-B1 | (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2002-12-11 | — | — | EP | disclosed |
| EP-0904269-B1 | 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2002-01-23 | — | — | EP | disclosed |
| US-6169188-B1 | TREATING CYCLOOXYGENASE-2 MEDIATED DISEASES | MERCK FROSST CANADA & CO. (CA) | 2001-01-02 | — | — | US | disclosed |
| US-6057319-A | CYCLOOXYGENASE-2 INHIBITORS; NON-STEROIDAL ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA & CO. (CA) | 2000-05-02 | — | — | US | disclosed |
| US-6020343-A | (Methylsulfonyl)phenyl-2-(5H)-furanones as COX-2 inhibitors | MERCK FROSST CANADA, INC. (CA) | 2000-02-01 | — | — | US | disclosed |
| US-5981576-A | (Methylsulfonyl)phenyl-2-(5H)-furanones as COX-2 inhibitors | MERCK FROSST CANADA, INC. (CA) | 1999-11-09 | — | — | US | disclosed |
| EP-0904269-A1 | 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1999-03-31 | — | — | EP | disclosed |
| EP-0863891-A1 | (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1998-09-16 | — | — | EP | disclosed |
| US-5698584-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS | MERCK FROSST CANADA, INC. (CA) | 1997-12-16 | — | — | US | disclosed |
| WO-1997016435-A1 | 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-05-09 | — | — | WO | disclosed |
| WO-1997014691-A1 | (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-04-24 | — | — | WO | disclosed |