⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21562036 | 0.73 | — | — | |
| SCHEMBL16523968 | 0.73 | — | — | |
| SCHEMBL5953380 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL6057653 | 0.69 | — | — | |
| SCHEMBL28063698 | 0.67 | — | — | |
| SCHEMBL28857981 | 0.67 | — | — | |
| SCHEMBL1247056 | 0.64 | CYP1A2 (0.31) | — | |
| SCHEMBL3898246 | 0.63 | — | — | |
| SCHEMBL6057647 | 0.62 | — | — | |
| SCHEMBL3953241 | 0.62 | — | — |
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-2062050-A2 | MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH | Senomyx, Inc. (US) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008154221-A2 | MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH | SENOMYX, INC. (US) | 2008-12-18 | — | — | WO | disclosed |