⚠ 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 | |
|---|---|---|---|---|
| Nitromethane SCHEMBL11049968 | 0.95 | — | — | |
| Nitromethane SCHEMBL22685862 | 0.95 | — | — | |
| Nitromethane SCHEMBL29707679 | 0.94 | — | — | |
| Nitromethane SCHEMBL27366359 | 0.94 | — | — | |
| Nitromethane SCHEMBL525 | 0.94 | — | — | |
| Nitromethane SCHEMBL1890507 | 0.89 | — | — | |
| Nitromethane SCHEMBL3012923 | 0.89 | — | — | |
| Nitromethane SCHEMBL17162023 | 0.89 | — | — | |
| Nitromethane SCHEMBL10735049 | 0.89 | — | — | |
| Nitromethane SCHEMBL8771927 | 0.89 | — | — |
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-106632737-B | A kind of nano supermolecule assembly of six benzo cool derivatives of Permethylated β-cyclodextrin modification | 南开大学 | 2019-03-05 | — | — | CN | claimed |