⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8130519 | 0.93 | — | — | |
| SCHEMBL8137939 | 0.90 | CYP1A2 (0.36) | — | |
| SCHEMBL7874514 | 0.80 | IDO1 (0.33) | — | |
| SCHEMBL8131839 | 0.75 | ABCB1 (0.40) | — | |
| SCHEMBL8130434 | 0.73 | LMNA (0.35) | — | |
| SCHEMBL8131533 | 0.70 | — | — | |
| SCHEMBL8131532 | 0.70 | — | — | |
| SCHEMBL9299207 | 0.70 | CYP1A2 (0.37) | — | |
| SCHEMBL7768331 | 0.70 | CYP1A2 (0.37) | — | |
| SCHEMBL8120859 | 0.69 | BACE1 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0655448-B1 | BENZOPYRAN AND BENZOXAZINE DERIVATIVES | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2000-04-12 | — | — | EP | disclosed |
| US-5977167-A | Benzopyran and benzoxazine derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1999-11-02 | — | — | US | disclosed |
| US-5874446-A | ANTIASTHMATICS, ANTIEPILEPSY AGENTS | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1999-02-23 | — | — | US | disclosed |
| US-5614633-A | POTASSIUM CHANNEL ACTIVATOR | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1997-03-25 | — | — | US | disclosed |
| EP-0655448-A1 | BENZOPYRAN AND BENZOXAZINE DERIVATIVES | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1995-05-31 | — | — | EP | disclosed |