⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2523460 | 0.71 | — | — | |
| SCHEMBL5543883 | 0.62 | — | — | |
| SCHEMBL2891248 | 0.59 | — | — | |
| SCHEMBL22735980 | 0.58 | — | — | |
| SCHEMBL3065610 | 0.57 | — | — | |
| SCHEMBL21720664 | 0.57 | CCR4 (0.38) | — | |
| SCHEMBL6885460 | 0.57 | LMNA (0.32) | — | |
| SCHEMBL20448714 | 0.57 | TSHR (0.32) | — | |
| SCHEMBL5543581 | 0.57 | — | — | |
| SCHEMBL12248415 | 0.57 | — | — |
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 |