⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28217863 | 0.79 | — | — | |
| SCHEMBL6886965 | 0.75 | — | — | |
| SCHEMBL8941769 | 0.74 | — | — | |
| SCHEMBL20292375 | 0.69 | — | — | |
| SCHEMBL27799041 | 0.64 | — | — | |
| SCHEMBL767726 | 0.64 | — | — | |
| SCHEMBL7798878 | 0.64 | — | — | |
| SCHEMBL1584979 | 0.64 | — | — | |
| SCHEMBL28636449 | 0.63 | TRPA1 (0.30) | — | |
| SCHEMBL28632093 | 0.63 | TRPA1 (0.30) | — |
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-2004110351-A2 | HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS | ANADYS PHARMACEUTICALS, INC. (US) | 2004-12-23 | — | — | WO | disclosed |