⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11211177 | 0.75 | — | — | |
| SCHEMBL20693888 | 0.75 | — | — | |
| SCHEMBL13958788 | 0.75 | ENPEP (0.44) | — | |
| SCHEMBL10454778 | 0.69 | — | — | |
| SCHEMBL8105247 | 0.69 | — | — | |
| SCHEMBL9312148 | 0.69 | — | — | |
| SCHEMBL8105243 | 0.69 | — | — | |
| SCHEMBL21645184 | 0.67 | — | — | |
| SCHEMBL1665407 | 0.67 | — | — | |
| SCHEMBL1663118 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023108111-A2 | POLYMERS CONTAINING BETA-AMINO-ESTER (BAE) AND BETA-THIO-ESTER (BTE) | GEORGIA TECH RESEARCH CORPORATION (US) | 2023-06-15 | — | — | WO | disclosed |
| EP-3316877-B1 | ADO-RESISTANT CYSTEAMINE ANALOGS AND USES THEREOF | HORIZON ORPHAN LLC (US) | 2019-10-30 | — | — | EP | disclosed |