⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL253076 | 0.87 | — | — | |
| Water SCHEMBL6682358 | 0.85 | APOBEC3G (0.32) | — | |
| Hydrochloric Acid SCHEMBL28662790 | 0.85 | — | — | |
| Ammonia Solution, Strong SCHEMBL28122501 | 0.85 | — | — | |
| Hydrogen Sulfide SCHEMBL27366405 | 0.85 | — | — | |
| Sulfuric Acid SCHEMBL9355340 | 0.84 | ALDH1A1 (0.32) | — | |
| Piperidine SCHEMBL28431606 | 0.73 | ALDH1A1 (0.33) | — | |
| Formic Acid SCHEMBL28389406 | 0.72 | — | — | |
| SCHEMBL8024648 | 0.72 | — | — | |
| SCHEMBL29543911 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117447361-A | Preparation method of bis-2-methoxyethyl azo dicarboxylic acid ester | 苏州昊帆生物股份有限公司 | 2024-01-26 | — | — | CN | claimed |
| CN-116947841-A | Preparation method of 5,5 '-bis (3, 5-dinitropyrazolyl) -2,2' -bis (1, 3, 4-oxadiazole) | 西安聚力安泰能源科技有限公司 | 2023-10-27 | — | — | CN | claimed |
| CN-117447361-A | Preparation method of bis-2-methoxyethyl azo dicarboxylic acid ester | 苏州昊帆生物股份有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-117447361-A | Preparation method of bis-2-methoxyethyl azo dicarboxylic acid ester | 苏州昊帆生物股份有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-116947841-A | Preparation method of 5,5 '-bis (3, 5-dinitropyrazolyl) -2,2' -bis (1, 3, 4-oxadiazole) | 西安聚力安泰能源科技有限公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-116947841-A | Preparation method of 5,5 '-bis (3, 5-dinitropyrazolyl) -2,2' -bis (1, 3, 4-oxadiazole) | 西安聚力安泰能源科技有限公司 | 2023-10-27 | — | — | CN | disclosed |