⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6413512 | 1.00 | — | — | |
| SCHEMBL6409717 | 0.87 | PTGS2 (0.37) | — | |
| SCHEMBL6412115 | 0.87 | PTGS2 (0.37) | — | |
| SCHEMBL6405847 | 0.78 | PNMT (0.37) | — | |
| SCHEMBL6407106 | 0.78 | PNMT (0.37) | — | |
| SCHEMBL6405330 | 0.77 | PARP1 (0.38) | — | |
| SCHEMBL6410737 | 0.77 | PARP1 (0.38) | — | |
| SCHEMBL6405565 | 0.76 | PTGS2 (0.47) | — | |
| SCHEMBL6409650 | 0.76 | PTGS2 (0.47) | — | |
| SCHEMBL6410754 | 0.76 | PTGS2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050010050-A1 | Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of COX-2-mediated disorders | G.D. SEARLE & CO. (US) | 2005-01-13 | — | — | US | disclosed |
| US-6822102-B2 | COMPOUNDS SUCH AS (2S,3R)-6,8-DICHLORO-3,4-DIHYDRO-2-(TRIFLUOROMETHYL)-2H-1-BENZOPYRAN-3 -CARBOXYLIC ACID, USED AS ANTIINFLAMMATORY, ANTIARTHRITIC, ANTICARCINOGENIC AGENTS OR ANALGESICS | PHARMACIA CORPORATION | 2004-11-23 | — | — | US | disclosed |
| EP-1274700-B1 | DIHYDROBENZOPYRANS, DIHYDROBENZOTHIOPYRANS, AND TETRAHYDROQUINOLINES FOR THE TREATMENT OF COX-2-MEDIATED DISORDERS | PHARMACIA CORP (US) | 2004-11-17 | — | — | EP | disclosed |
| US-20030232844-A1 | Dihydrobenzopyrans, dihydrobenzothiopyrans, and tetrahydroquinolines for the treatment of cox-2 mediated disorders | PHARMACIA CORPORATION | 2003-12-18 | — | — | US | disclosed |