⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22920101 | 0.97 | — | — | |
| SCHEMBL1055414 | 0.97 | — | — | |
| SCHEMBL1024690 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL29288193 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL3600107 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL6870898 | 0.94 | — | — | |
| SCHEMBL221055 | 0.84 | — | — | |
| SCHEMBL572346 | 0.84 | — | — | |
| SCHEMBL240170 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL25236164 | 0.82 | GLI1 (0.59) | — |
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-110114349-A | Thiophene derivant as antivirotic | 埃尼奥制药公司 | 2019-08-09 | — | — | CN | disclosed |