⚠ 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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL7094965 | 0.79 | TSHR (0.50) | — | |
| Ethylene Glycol SCHEMBL514647 | 0.79 | — | — | |
| 2-Mercaptoethanol SCHEMBL3727625 | 0.78 | — | — | |
| 2-Mercaptoethanol SCHEMBL5702 | 0.78 | — | — | |
| Acrolein SCHEMBL11032945 | 0.76 | — | — | |
| Ethylene Glycol SCHEMBL28828263 | 0.75 | — | — | |
| 2-Mercaptoethanol SCHEMBL20214348 | 0.75 | — | — | |
| 1-Propanethiol SCHEMBL766997 | 0.74 | — | — | |
| Formic Acid SCHEMBL7116264 | 0.74 | — | — | |
| 2-Mercaptoethanol SCHEMBL264689 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000039135-A2 | INSULIN MIMETICS FROM HONEY | RADEMACHER GROUP LIMITED (GB) | 2000-07-06 | — | — | WO | disclosed |