⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL44638 | 0.85 | — | — | |
| SCHEMBL11667114 | 0.83 | — | — | |
| Carbamic Acid SCHEMBL28626036 | 0.82 | ACHE (0.32) | — | |
| Phosphonic Acid SCHEMBL1097774 | 0.82 | — | — | |
| SCHEMBL9567690 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL29280142 | 0.74 | GSK3A (0.46) | — | |
| Succinimide SCHEMBL11398293 | 0.72 | CRBN (0.44) | — | |
| SCHEMBL19639024 | 0.70 | — | — | |
| Formic Acid SCHEMBL31043468 | 0.68 | — | — | |
| Amitrole SCHEMBL9185616 | 0.68 | — | — |
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-111471028-A | Synthesis method of 1,2, 4-triazole-3-formic acid | 杭州金仕源医药化工有限公司 | 2020-07-31 | — | — | CN | disclosed |
| CN-105037284-A | Novel method for synthesis of methyl 1,2,4-triazole-3-carboxylate through non-diazotiation method | UNIV XINXIANG | 2015-11-11 | — | — | CN | disclosed |