⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1828683 | 0.97 | — | — | |
| Hydrogen Sulfide SCHEMBL27615479 | 0.94 | — | — | |
| Ethylene Glycol SCHEMBL11225967 | 0.88 | ALDH1A1 (0.42) | — | |
| Ethylene Glycol SCHEMBL4725586 | 0.84 | ALDH1A1 (0.43) | — | |
| SCHEMBL8942190 | 0.80 | — | — | |
| SCHEMBL15499989 | 0.79 | — | — | |
| SCHEMBL1157589 | 0.77 | — | — | |
| SCHEMBL2968811 | 0.75 | — | — | |
| SCHEMBL8587177 | 0.75 | — | — | |
| SCHEMBL27894891 | 0.75 | GAA (0.41) | — |
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-4366077-A | CORROSION RESISTANCE | JOHN LYSAGHT (AUSTRALIA) LIMITED (AU) | 1982-12-28 | — | — | US | disclosed |