⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5802645 | 0.90 | — | — | |
| SCHEMBL4654879 | 0.87 | TRPV1 (0.72) | — | |
| SCHEMBL5802640 | 0.86 | — | — | |
| SCHEMBL5801501 | 0.85 | — | — | |
| SCHEMBL5802264 | 0.85 | — | — | |
| SCHEMBL5800999 | 0.85 | TRPV1 (0.77) | — | |
| SCHEMBL5801396 | 0.85 | — | — | |
| SCHEMBL5800923 | 0.84 | TRPV1 (0.59) | — | |
| SCHEMBL5800830 | 0.83 | — | — | |
| SCHEMBL5801435 | 0.83 | — | — |
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-2006098554-A1 | NOVEL COMPOUNDS, ISOMER THEREOF OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2006-09-21 | — | — | WO | claimed |