⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18529305 | 0.68 | — | — | |
| SCHEMBL18169663 | 0.62 | — | — | |
| SCHEMBL20115759 | 0.58 | — | — | |
| SCHEMBL21042762 | 0.55 | — | — | |
| SCHEMBL4866856 | 0.53 | — | — | |
| SCHEMBL968165 | 0.53 | — | — | |
| SCHEMBL2137064 | 0.52 | — | — | |
| SCHEMBL11802014 | 0.48 | — | — | |
| SCHEMBL1445441 | 0.46 | — | — | |
| SCHEMBL320324 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2054411-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2009-05-06 | — | — | EP | disclosed |
| WO-2008013414-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2008-01-31 | — | — | WO | disclosed |