⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3227420 | 0.92 | — | — | |
| Bromide SCHEMBL29035873 | 0.88 | — | — | |
| SCHEMBL1865678 | 0.85 | — | — | |
| SCHEMBL10697505 | 0.70 | — | — | |
| SCHEMBL28717080 | 0.68 | — | — | |
| Tetrahydrofuran SCHEMBL29044172 | 0.66 | ALDH1A1 (0.38) | — | |
| SCHEMBL4942883 | 0.65 | — | — | |
| SCHEMBL14225509 | 0.64 | SLC6A3 (0.36) | — | |
| SCHEMBL2568405 | 0.64 | — | — | |
| SCHEMBL4743643 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114044757-B | Triazole-4- (N-substituted formamide) -5-triazene compound as well as preparation method and application thereof | 浙江大学 | 2023-06-09 | — | — | CN | claimed |
| CN-114044757-B | Triazole-4- (N-substituted formamide) -5-triazene compound as well as preparation method and application thereof | 浙江大学 | 2023-06-09 | — | — | CN | disclosed |