⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13273752 | 0.78 | — | — | |
| SCHEMBL11208160 | 0.78 | — | — | |
| Dimethylcarbate SCHEMBL1232328 | 0.76 | — | — | |
| Dimethylcarbate SCHEMBL15360 | 0.76 | — | — | |
| Dimethylcarbate SCHEMBL149386 | 0.73 | — | — | |
| Dimethylcarbate SCHEMBL672820 | 0.73 | — | — | |
| Dimethylcarbate SCHEMBL321621 | 0.73 | — | — | |
| Dimethylcarbate SCHEMBL11751711 | 0.73 | — | — | |
| Dimethylcarbate SCHEMBL639149 | 0.73 | — | — | |
| Dimethylcarbate SCHEMBL1873907 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3765454-B1 | ANTIVIRAL COMPOUNDS AND USE THEREOF | UNIV DEGLI STUDI DI SIENA (IT) | 2023-11-08 | — | — | EP | disclosed |
| US-20100036132-A1 | PROCESS FOR THE PREPARATION OF OPIOD MODULATORS | CAI CHAOZHONG | 2010-02-11 | — | — | US | disclosed |