⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7566894 | 0.78 | — | — | |
| SCHEMBL10534862 | 0.67 | — | — | |
| SCHEMBL3070925 | 0.65 | — | — | |
| SCHEMBL28381206 | 0.63 | GRM5 (0.47) | — | |
| SCHEMBL4250415 | 0.61 | KDM4E (0.39) | — | |
| SCHEMBL4921070 | 0.57 | HRH3 (0.32) | — | |
| SCHEMBL5535002 | 0.55 | GABRA1 (0.31) | — | |
| SCHEMBL15719117 | 0.54 | — | — | |
| SCHEMBL2116183 | 0.53 | — | — | |
| SCHEMBL27919183 | 0.53 | — | — |
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-2307394-A2 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | Amorepacific Corporation (KR) | 2011-04-13 | — | — | EP | disclosed |
| WO-2010002209-A2 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORPORATION (KR) | 2010-01-07 | — | — | WO | disclosed |