⚠ 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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL1332384 | 0.87 | — | — | |
| Ethoxycarbonyl Group SCHEMBL453 | 0.87 | — | — | |
| Ethoxycarbonyl Group SCHEMBL5306888 | 0.87 | ALDH1A1 (0.38) | — | |
| Ethoxycarbonyl Group SCHEMBL1653351 | 0.84 | — | — | |
| Ethoxycarbonyl Group SCHEMBL29578977 | 0.84 | — | — | |
| Ethoxycarbonyl Group SCHEMBL4412187 | 0.84 | — | — | |
| Ethoxycarbonyl Group SCHEMBL374751 | 0.84 | — | — | |
| Ethoxycarbonyl Group SCHEMBL5482235 | 0.84 | — | — | |
| Ethoxycarbonyl Group SCHEMBL3767822 | 0.84 | — | — | |
| Ethoxycarbonyl Group SCHEMBL29091202 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106146304-A | The method producing Ethyl formate | 山西同济药业有限公司 | 2016-11-23 | — | — | CN | disclosed |