⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL44685 | 0.73 | SUCNR1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL1189461 | 0.71 | SUCNR1 (0.38) | — | |
| SCHEMBL9564551 | 0.71 | — | — | |
| SCHEMBL9564545 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL628216 | 0.71 | SUCNR1 (0.38) | — | |
| SCHEMBL322324 | 0.71 | — | — | |
| SCHEMBL9304889 | 0.71 | — | — | |
| SCHEMBL19551085 | 0.71 | — | — | |
| SCHEMBL19550951 | 0.71 | — | — | |
| SCHEMBL1021769 | 0.71 | — | — |
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-0907646-B1 | DIHYDROBENZOPYRAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS | UNIV VANDERBILT (US) | 2003-05-21 | — | — | EP | disclosed |
| US-6110960-A | FOR TREATING ARTHRITIS AND AS ANALGESIC | THE PROCTER & GAMBLE COMPANY (US) | 2000-08-29 | — | — | US | disclosed |
| EP-0907646-A1 | DIHYDROBENZOPYRAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS | THE PROCTER & GAMBLE COMPANY (US) | 1999-04-14 | — | — | EP | disclosed |
| WO-1997046548-A1 | DIHYDROBENZOPYRAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS | THE PROCTER & GAMBLE COMPANY (US) | 1997-12-11 | — | — | WO | disclosed |