⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3498765 | 1.00 | — | — | |
| SCHEMBL2880070 | 0.67 | — | — | |
| SCHEMBL2881139 | 0.67 | — | — | |
| Diethylamine SCHEMBL4105115 | 0.65 | — | — | |
| SCHEMBL1070026 | 0.64 | — | — | |
| Nitroethane SCHEMBL35035 | 0.64 | — | — | |
| SCHEMBL9634898 | 0.64 | — | — | |
| Nitroethane SCHEMBL1332217 | 0.64 | — | — | |
| SCHEMBL305514 | 0.61 | — | — | |
| Nitroethane SCHEMBL7774447 | 0.61 | — | — |
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-111870684-A | Pharmaceutical application of bicyclic cyclo-hexapeptide glycoside compound | 中国药科大学 | 2020-11-03 | — | — | CN | disclosed |