⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL482485 | 0.83 | ABCC9 (0.37) | — | |
| SCHEMBL482676 | 0.83 | ABCC9 (0.37) | — | |
| SCHEMBL8069749 | 0.81 | KDM1A (0.33) | — | |
| SCHEMBL8071529 | 0.74 | ABCB1 (0.33) | — | |
| SCHEMBL9753193 | 0.74 | TRPV1 (0.36) | — | |
| SCHEMBL7768331 | 0.74 | CYP1A2 (0.37) | — | |
| SCHEMBL7768120 | 0.71 | IDO1 (0.32) | — | |
| SCHEMBL482484 | 0.71 | KCNE1 (0.47) | — | |
| SCHEMBL7258587 | 0.71 | KCNE1 (0.38) | — | |
| SCHEMBL7874514 | 0.70 | IDO1 (0.33) | — |
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-1109801-A1 | SUBSTITUTED DIHYDROBENZOPYRANS USEFUL AS ANTIARRHYTHMIC AGENTS | THE PROCTER & GAMBLE COMPANY (US) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000014084-A1 | SUBSTITUTED DIHYDROBENZOPYRANS USEFUL AS ANTIARRHYTHMIC AGENTS | THE PROCTER & GAMBLE COMPANY (US) | 2000-03-16 | — | — | WO | disclosed |