⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5328312 | 1.00 | — | — | |
| SCHEMBL3188734 | 0.78 | — | — | |
| SCHEMBL3188729 | 0.78 | — | — | |
| SCHEMBL776484 | 0.73 | TRPA1 (0.35) | — | |
| SCHEMBL191109 | 0.69 | TXN (0.38) | — | |
| SCHEMBL16943969 | 0.66 | — | — | |
| SCHEMBL17130699 | 0.66 | — | — | |
| SCHEMBL29392355 | 0.64 | TXN (0.35) | — | |
| SCHEMBL13211630 | 0.64 | TXN (0.35) | — | |
| SCHEMBL8508826 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2007119474-A | ANTICANCER AGENT CONTAINING FERULAE RESINA OR VOLATILE OIL OF THE SAME AS ACTIVE INGREDIENT | WANG YANDING | 2007-05-17 | — | — | JP | disclosed |