⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15034448 | 0.74 | MEN1 (0.38) | — | |
| SCHEMBL15034465 | 0.71 | MAOB (0.48) | — | |
| SCHEMBL12798079 | 0.67 | PPARG (0.55) | — | |
| SCHEMBL19394016 | 0.67 | PPARG (0.55) | — | |
| SCHEMBL13813444 | 0.67 | PPARG (0.55) | — | |
| SCHEMBL12798082 | 0.67 | PPARG (0.55) | — | |
| SCHEMBL13292113 | 0.67 | PPARG (0.55) | — | |
| SCHEMBL9681220 | 0.66 | PPARG (0.61) | — | |
| SCHEMBL9680026 | 0.66 | PPARG (0.61) | — | |
| SCHEMBL9420002 | 0.66 | PPARG (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130157986-A1 | NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE | INVASC THERAPEUTICS, INC. (US) | 2013-06-20 | — | — | US | disclosed |
| US-20130157986-A1 | NOVEL METHYLENEDIOXY PHENOLIC COMPOUNDS AND THEIR USE TO TREAT DISEASE | INVASC THERAPEUTICS, INC. (US) | 2013-06-20 | — | — | US | disclosed |