⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1831330 | 0.87 | — | — | |
| SCHEMBL305719 | 0.87 | — | — | |
| SCHEMBL27973856 | 0.87 | — | — | |
| SCHEMBL7777098 | 0.75 | — | — | |
| SCHEMBL5824345 | 0.75 | — | — | |
| SCHEMBL8926367 | 0.75 | — | — | |
| SCHEMBL11058441 | 0.75 | — | — | |
| SCHEMBL11135053 | 0.75 | — | — | |
| SCHEMBL11592058 | 0.75 | — | — | |
| SCHEMBL10587695 | 0.75 | — | — |
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-4428820-A | INCREASED CONVERSION TO ETHYL ACETATE-SOLUBLE PRODUCTS | CHEVRON RESEARCH COMPANY (US) | 1984-01-31 | — | — | US | disclosed |