⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL497749 | 0.97 | — | — | |
| SCHEMBL29142105 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL5595969 | 0.95 | — | — | |
| SCHEMBL25121441 | 0.92 | PAOX (0.45) | — | |
| SCHEMBL4969545 | 0.92 | PAOX (0.45) | — | |
| Trimethylammonium SCHEMBL28787761 | 0.90 | FFAR3 (0.42) | — | |
| SCHEMBL29233168 | 0.86 | FFAR3 (0.39) | — | |
| Sulfuric Acid SCHEMBL8476874 | 0.86 | PAOX (0.41) | — | |
| SCHEMBL28799540 | 0.85 | FFAR3 (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL4280114 | 0.85 | GAA (0.50) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008077194-A1 | RECEPTOR AGONISTS | XENOME LTD (AU) | 2008-07-03 | — | — | WO | disclosed |