⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL343890 | 0.79 | APP (0.34) | — | |
| SCHEMBL19908129 | 0.75 | MAPT (0.38) | — | |
| SCHEMBL13243729 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL5491757 | 0.67 | TTR (0.34) | — | |
| SCHEMBL343449 | 0.61 | KDM4E (0.35) | — | |
| SCHEMBL6029914 | 0.60 | APP (0.43) | — | |
| SCHEMBL343039 | 0.59 | KDM4E (0.37) | — | |
| SCHEMBL344030 | 0.59 | CYP2A6 (0.37) | — | |
| SCHEMBL69420 | 0.59 | APP (0.39) | — | |
| SCHEMBL14329536 | 0.58 | CYP2A6 (0.57) | — |
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-1412344-A1 | IODOBENZOPYRAN-4-ONE DERIVATIVES HAVING FUNGICIDAL ACTIVITY | Bayer CropScience S.A. (FR) | 2004-04-28 | — | — | EP | disclosed |
| WO-2003014103-A1 | IODOBENZOPYRAN-4-ONE DERIVATIVES HAVING FUNGICIDAL ACTIVITY | BAYER CROPSCIENCE S.A. (FR) | 2003-02-20 | — | — | WO | disclosed |