⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL201821 | 1.00 | — | — | |
| SCHEMBL3035968 | 0.97 | GAA (0.34) | — | |
| SCHEMBL28091641 | 0.97 | GAA (0.34) | — | |
| SCHEMBL8766655 | 0.97 | GAA (0.34) | — | |
| SCHEMBL3713513 | 0.97 | GAA (0.34) | — | |
| Water SCHEMBL28332941 | 0.97 | GAA (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL7167292 | 0.97 | GAA (0.34) | — | |
| Methylamine SCHEMBL7747887 | 0.95 | GAA (0.33) | — | |
| Methyl Alcohol SCHEMBL8166102 | 0.95 | GAA (0.38) | — | |
| Hydrogen Peroxide SCHEMBL27561732 | 0.95 | GAA (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4327011-A | Printing ink and vehicle therefor | CENTURY INKS CORPORATION (US) | 1982-04-27 | — | — | US | disclosed |