⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15064098 | 0.77 | — | — | |
| SCHEMBL15063775 | 0.75 | — | — | |
| SCHEMBL2344830 | 0.75 | — | — | |
| SCHEMBL4776887 | 0.75 | — | — | |
| SCHEMBL15064029 | 0.75 | — | — | |
| SCHEMBL456639 | 0.75 | — | — | |
| SCHEMBL27394979 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL29003926 | 0.71 | — | — | |
| SCHEMBL18585315 | 0.71 | — | — | |
| SCHEMBL6653553 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1153170-A | Substd. Benzene dicarboxylic biguanides, process for preparing same and their use as medicines and diagnosis agent, and medicines contg. same | HOECHST AG (DE) | 1997-07-02 | — | — | CN | disclosed |