⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5802185 | 0.89 | — | — | |
| SCHEMBL4624981 | 0.88 | TRPV1 (0.70) | — | |
| SCHEMBL2004132 | 0.85 | TRPV1 (0.56) | — | |
| SCHEMBL5802640 | 0.85 | — | — | |
| SCHEMBL5800999 | 0.84 | TRPV1 (0.77) | — | |
| SCHEMBL5801501 | 0.84 | — | — | |
| SCHEMBL5802264 | 0.84 | — | — | |
| SCHEMBL5801396 | 0.84 | — | — | |
| SCHEMBL5801428 | 0.82 | — | — | |
| SCHEMBL5800923 | 0.82 | TRPV1 (0.59) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 | disclosed |