⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23183267 | 0.81 | — | — | |
| SCHEMBL23183312 | 0.78 | SORT1 (0.38) | — | |
| SCHEMBL24002092 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL12181317 | 0.76 | — | — | |
| SCHEMBL12181578 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL18806996 | 0.68 | — | — | |
| SCHEMBL18806994 | 0.67 | — | — | |
| SCHEMBL6885257 | 0.67 | — | — | |
| SCHEMBL12181354 | 0.62 | BIRC2 (0.45) | — | |
| SCHEMBL18404842 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080004262-A1 | Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2008-01-03 | — | — | US | disclosed |