⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9427892 | 0.71 | — | — | |
| SCHEMBL8995372 | 0.70 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL8926510 | 0.69 | EGLN3 (0.44) | — | |
| SCHEMBL13219816 | 0.68 | — | — | |
| SCHEMBL4686079 | 0.67 | — | — | |
| SCHEMBL5370257 | 0.67 | — | — | |
| SCHEMBL5657617 | 0.66 | CYP19A1 (0.48) | — | |
| SCHEMBL21886558 | 0.64 | EGLN3 (0.47) | — | |
| SCHEMBL10517447 | 0.64 | EGLN3 (0.47) | — | |
| SCHEMBL1178749 | 0.64 | — | — |
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-110903255-A | Method for synthesizing 1,2, 4-triazole-3-formic acid | 上海东岳药业有限公司 | 2020-03-24 | — | — | CN | disclosed |