⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8313784 | 0.68 | — | — | |
| SCHEMBL8318100 | 0.55 | MAOB (0.33) | — | |
| SCHEMBL6889071 | 0.52 | HPGD (0.39) | — | |
| SCHEMBL8759431 | 0.50 | ALPL (0.48) | — | |
| SCHEMBL6559398 | 0.49 | ALDH1A1 (0.57) | — | |
| 2,3,7,8-Tetrachlorodibenzo-P-Dioxin SCHEMBL9618549 | 0.49 | AHR (0.81) | — | |
| 2,3,7,8-Tetrachlorodibenzo-P-Dioxin SCHEMBL2464843 | 0.48 | AHR (0.93) | — | |
| SCHEMBL10919614 | 0.47 | AHR (0.50) | — | |
| SCHEMBL5444748 | 0.46 | ALDH1A1 (0.47) | — | |
| SCHEMBL5914768 | 0.46 | MEN1 (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0632033-B1 | NOVEL BENZOPYRAN DERIVATIVE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 1999-04-07 | — | — | EP | disclosed |
| US-5646308-A | POTASSIUM CHANNEL ACTIVATORS USED AS ANTIASTHMATICS, ANTIEPILEPTICS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1997-07-08 | — | — | US | disclosed |
| EP-0632033-A1 | NOVEL BENZOPYRAN DERIVATIVE | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1995-01-04 | — | — | EP | disclosed |