⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1583472 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL1583637 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL154523 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL527480 | 0.79 | FFAR3 (0.36) | — | |
| SCHEMBL1015506 | 0.79 | — | — | |
| SCHEMBL1955216 | 0.77 | — | — | |
| SCHEMBL1693036 | 0.76 | — | — | |
| SCHEMBL482045 | 0.76 | — | — | |
| SCHEMBL1749269 | 0.76 | — | — | |
| SCHEMBL17085695 | 0.75 | CHRNB2 (0.33) | — |
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-2009071519-A9 | OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | GLAXO GROUP LIMITED (GB) | 2009-12-03 | — | — | WO | disclosed |
| WO-2009071519-A1 | OXADIAZOLE DERIVATIVES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS | GLAXO GROUP LIMITED (GB) | 2009-06-11 | — | — | WO | disclosed |