⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7828768 | 1.00 | — | — | |
| SCHEMBL1707301 | 0.76 | — | — | |
| SCHEMBL27660847 | 0.74 | — | — | |
| SCHEMBL10923129 | 0.73 | CA2 (0.30) | — | |
| SCHEMBL814226 | 0.73 | CA2 (0.30) | — | |
| SCHEMBL14509595 | 0.73 | CA2 (0.30) | — | |
| SCHEMBL2406044 | 0.70 | — | — | |
| SCHEMBL9140820 | 0.70 | — | — | |
| SCHEMBL5709734 | 0.70 | — | — | |
| SCHEMBL30313 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1123285-A1 | SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 2001-08-16 | — | — | EP | disclosed |
| WO-2000023433-A1 | SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 2000-04-27 | — | — | WO | disclosed |