⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL28020545 | 1.00 | — | — | |
| Propane SCHEMBL27819842 | 0.92 | — | — | |
| Hexane SCHEMBL28402669 | 0.90 | TSHR (0.33) | — | |
| Pentane SCHEMBL28200839 | 0.90 | LMNA (0.35) | — | |
| Hexane SCHEMBL28228320 | 0.90 | TSHR (0.33) | — | |
| Propylamine SCHEMBL27978116 | 0.87 | — | — | |
| Propanol SCHEMBL20774350 | 0.87 | — | — | |
| Benzene SCHEMBL29022973 | 0.86 | — | — | |
| Alcohol SCHEMBL4207746 | 0.86 | — | — | |
| Ethane SCHEMBL28055194 | 0.85 | — | — |
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-104876953-A | Cadmium complex containing ditriazole butane and pyrazine diacid and preparation method of cadmium complex | UNIV TIANJIN POLYTECHNIC | 2015-09-02 | — | — | CN | disclosed |
| CN-104876953-A | Cadmium complex containing ditriazole butane and pyrazine diacid and preparation method of cadmium complex | UNIV TIANJIN POLYTECHNIC | 2015-09-02 | — | — | CN | disclosed |