⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL665606 | 0.87 | — | — | |
| SCHEMBL5063598 | 0.75 | — | — | |
| SCHEMBL5068310 | 0.75 | — | — | |
| Bromide SCHEMBL9684840 | 0.75 | — | — | |
| SCHEMBL9814094 | 0.75 | — | — | |
| SCHEMBL5072397 | 0.75 | — | — | |
| SCHEMBL3418287 | 0.71 | — | — | |
| SCHEMBL3631609 | 0.71 | — | — | |
| SCHEMBL9684861 | 0.71 | — | — | |
| SCHEMBL5571278 | 0.71 | — | — |
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-5112992-A | Production of polycarboxylic acids with hafnium-activated cobalt catalyst | AMOCO CORPORATION (US) | 1992-05-12 | — | — | US | disclosed |