⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49836 | 0.96 | — | — | |
| SCHEMBL28276097 | 0.96 | MEN1 (0.61) | — | |
| Hydrochloric Acid SCHEMBL28190746 | 0.93 | — | — | |
| SCHEMBL5316147 | 0.93 | — | — | |
| SCHEMBL8219033 | 0.93 | — | — | |
| Methane SCHEMBL747668 | 0.93 | — | — | |
| Benzene SCHEMBL27034677 | 0.90 | MAPT (0.53) | — | |
| Benzene SCHEMBL21624953 | 0.90 | MAPT (0.53) | — | |
| SCHEMBL62645 | 0.87 | ALDH1A1 (0.69) | — | |
| Benzenethiol SCHEMBL2363307 | 0.84 | TSHR (0.56) | — |
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-110082340-A | The flexible detection method that orderly micro-nano patterned films detect trace TNT | 合肥工业大学 | 2019-08-02 | — | — | CN | disclosed |