⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2948935 | 0.94 | CA1 (0.43) | — | |
| SCHEMBL5500652 | 0.89 | CA1 (0.41) | — | |
| SCHEMBL2959317 | 0.78 | KDM4E (0.44) | — | |
| SCHEMBL2955340 | 0.77 | NSD2 (0.37) | — | |
| SCHEMBL5718743 | 0.76 | — | — | |
| SCHEMBL2948213 | 0.76 | TRPV1 (0.57) | — | |
| SCHEMBL28695516 | 0.75 | TRPV1 (0.50) | — | |
| SCHEMBL2951801 | 0.75 | EPHX2 (0.39) | — | |
| SCHEMBL2957576 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL2954657 | 0.75 | TRPV1 (0.37) | — |
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-1861357-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006101318-A1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2006-09-28 | — | — | WO | disclosed |