⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6260243 | 0.93 | SCN9A (0.30) | — | |
| SCHEMBL6269204 | 0.89 | SCN9A (0.34) | — | |
| SCHEMBL6265764 | 0.86 | — | — | |
| SCHEMBL8317123 | 0.83 | — | — | |
| SCHEMBL6267682 | 0.82 | — | — | |
| SCHEMBL8314217 | 0.81 | — | — | |
| SCHEMBL8313695 | 0.81 | KDM4E (0.34) | — | |
| SCHEMBL8313504 | 0.81 | — | — | |
| SCHEMBL8313718 | 0.81 | — | — | |
| SCHEMBL8316738 | 0.81 | ABCC9 (0.32) | — |
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 |