⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL1704314 | 0.84 | — | — | |
| Isopropyl Alcohol SCHEMBL5771119 | 0.84 | — | — | |
| Isopropyl Alcohol SCHEMBL27974364 | 0.80 | — | — | |
| Isopropyl Alcohol SCHEMBL3423945 | 0.80 | — | — | |
| Isopropyl Alcohol SCHEMBL1246872 | 0.80 | — | — | |
| Isobutane SCHEMBL29090726 | 0.79 | ADH1B (0.35) | — | |
| Isobutane SCHEMBL29280324 | 0.79 | ADH1B (0.35) | — | |
| SCHEMBL16516417 | 0.78 | — | — | |
| SCHEMBL45371 | 0.78 | — | — | |
| SCHEMBL819800 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106946843-A | A kind of preparation method of the oxathiene of 3 acyl group 1,4 | 北京化工大学 | 2017-07-14 | — | — | CN | disclosed |
| WO-2000039135-A2 | INSULIN MIMETICS FROM HONEY | RADEMACHER GROUP LIMITED (GB) | 2000-07-06 | — | — | WO | disclosed |