⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7019193 | 0.82 | — | — | |
| SCHEMBL13832681 | 0.82 | — | — | |
| SCHEMBL13832621 | 0.82 | — | — | |
| SCHEMBL3941101 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL13740079 | 0.80 | — | — | |
| SCHEMBL22720088 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL13739242 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL13739243 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL35211020 | 0.80 | CHRNB2 (0.35) | — | |
| SCHEMBL5225497 | 0.79 | CYP2D6 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1392683-B1 | SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THEIR USE AS ANTICANCER AGENTS | CYTOVIA INC (US) | 2009-12-02 | — | — | EP | disclosed |