⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3984935 | 0.67 | — | — | |
| SCHEMBL3913493 | 0.63 | — | — | |
| SCHEMBL607055 | 0.54 | — | — | |
| Propylene Oxide SCHEMBL273812 | 0.54 | — | — | |
| SCHEMBL5595446 | 0.54 | — | — | |
| SCHEMBL24096969 | 0.54 | — | — | |
| Sulfuric Acid SCHEMBL10533079 | 0.50 | ALDH1A1 (0.35) | — | |
| Propylene Oxide SCHEMBL11840530 | 0.50 | CA1 (0.32) | — | |
| Propylene Oxide SCHEMBL1612064 | 0.50 | CA1 (0.32) | — | |
| SCHEMBL2399458 | 0.48 | — | — |
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-4269790-A | Hydrocarbylethyl sulfonyl fluoride | CHEVRON RESEARCH COMPANY (US) | 1981-05-26 | — | — | US | disclosed |