⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8405430 | 0.69 | — | — | |
| SCHEMBL219313 | 0.44 | — | — | |
| Methane SCHEMBL5930624 | 0.31 | — | — | |
| SCHEMBL61422 | 0.31 | — | — | |
| Methane SCHEMBL23647291 | 0.29 | — | — | |
| SCHEMBL534897 | 0.29 | — | — | |
| Methane SCHEMBL1618191 | 0.29 | — | — | |
| Methane SCHEMBL2016531 | 0.29 | — | — | |
| Methane SCHEMBL15923387 | 0.29 | — | — | |
| SCHEMBL29662011 | 0.29 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010060214-A1 | HYBRID -IONONE AND CURCUMIN MOLECULES AS ANTICANCER AGENTS | TRT PHARMA INC . (CA) | 2010-06-03 | — | — | WO | disclosed |