⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12145494 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL11059102 | 0.76 | — | — | |
| SCHEMBL23829536 | 0.76 | GRIK1 (0.40) | — | |
| SCHEMBL11663474 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL23841337 | 0.74 | GAA (0.43) | — | |
| SCHEMBL18551718 | 0.73 | CTSK (0.41) | — | |
| SCHEMBL2400553 | 0.73 | — | — | |
| SCHEMBL2800401 | 0.72 | — | — | |
| SCHEMBL11347960 | 0.71 | — | — | |
| SCHEMBL2505557 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0970067-B1 | (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES WITH OXYGEN LINK AS COX-2 INHIBITORS | MERCK FROSST CANADA INC (CA) | 2003-07-02 | — | — | EP | disclosed |
| US-6071954-A | AS NON-STEROIDAL ANTIINFLAMMATROY AGENT FOR TREATING INFLAMMATION; NONTOXIC | MERK FROSST CANADA, INC. (CA) | 2000-06-06 | — | — | US | disclosed |
| EP-0970067-A1 | (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES WITH OXYGEN LINK AS COX-2 INHIBITORS | Merck Frosst Canada & Co. (CA) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998041516-A1 | (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES WITH OXYGEN LINK AS COX-2 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 1998-09-24 | — | — | WO | disclosed |