⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23355997 | 0.82 | — | — | |
| Phosphoric Acid SCHEMBL25335734 | 0.70 | — | — | |
| Acetic Acid SCHEMBL2893176 | 0.69 | FFAR3 (0.35) | — | |
| SCHEMBL7094129 | 0.61 | — | — | |
| SCHEMBL235810 | 0.61 | — | — | |
| SCHEMBL233642 | 0.59 | FDPS (0.33) | — | |
| SCHEMBL1572948 | 0.59 | — | — | |
| SCHEMBL19987966 | 0.59 | — | — | |
| SCHEMBL236785 | 0.57 | FDPS (0.35) | — | |
| SCHEMBL1273251 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118995846-A | Enzymatic synthesis of 4' -ethynyl nucleoside analogues | 默沙东有限责任公司 | 2024-11-22 | — | — | CN | disclosed |
| CN-112996511-B | Enzymatic synthesis of 4' -ethynyl nucleoside analogues | 默沙东有限责任公司 | 2024-08-09 | — | — | CN | disclosed |