⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27668697 | 0.96 | ALDH1A1 (0.38) | — | |
| SCHEMBL27084 | 0.96 | — | — | |
| SCHEMBL5518857 | 0.96 | — | — | |
| SCHEMBL30610359 | 0.93 | — | — | |
| SCHEMBL30610348 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28387642 | 0.93 | — | — | |
| SCHEMBL29444430 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL9231913 | 0.93 | — | — | |
| SCHEMBL28062245 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL27988621 | 0.93 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105524096-A | 1, 4-dimethyl-2, 5-dimethylene bistriazole isophthalic acid inclusion diethyl formamide cadmium complex single crystal and application thereof | UNIV TIANJIN | 2016-04-27 | — | — | CN | claimed |
| CN-105418656-A | Anthracene nucleus di-triazole isophthalic acid included diethyl formamide cadmium complex single crystal and application | UNIV TIANJIN | 2016-03-23 | — | — | CN | claimed |
| CN-105524096-A | 1, 4-dimethyl-2, 5-dimethylene bistriazole isophthalic acid inclusion diethyl formamide cadmium complex single crystal and application thereof | UNIV TIANJIN | 2016-04-27 | — | — | CN | disclosed |
| CN-105524096-A | 1, 4-dimethyl-2, 5-dimethylene bistriazole isophthalic acid inclusion diethyl formamide cadmium complex single crystal and application thereof | UNIV TIANJIN | 2016-04-27 | — | — | CN | disclosed |
| CN-105524096-A | 1, 4-dimethyl-2, 5-dimethylene bistriazole isophthalic acid inclusion diethyl formamide cadmium complex single crystal and application thereof | UNIV TIANJIN | 2016-04-27 | — | — | CN | disclosed |
| CN-105418656-A | Anthracene nucleus di-triazole isophthalic acid included diethyl formamide cadmium complex single crystal and application | UNIV TIANJIN | 2016-03-23 | — | — | CN | disclosed |
| CN-105418656-A | Anthracene nucleus di-triazole isophthalic acid included diethyl formamide cadmium complex single crystal and application | UNIV TIANJIN | 2016-03-23 | — | — | CN | disclosed |
| CN-105418656-A | Anthracene nucleus di-triazole isophthalic acid included diethyl formamide cadmium complex single crystal and application | UNIV TIANJIN | 2016-03-23 | — | — | CN | disclosed |