⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL23405876 | 0.84 | CTH (0.32) | — | |
| SCHEMBL55912 | 0.82 | — | — | |
| Ethylenediamine SCHEMBL9127982 | 0.82 | — | — | |
| SCHEMBL16692019 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL4063567 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL4696494 | 0.78 | KDM4E (0.36) | — | |
| SCHEMBL14745208 | 0.78 | MEN1 (0.38) | — | |
| SCHEMBL454356 | 0.78 | MEN1 (0.38) | — | |
| SCHEMBL12775011 | 0.78 | MEN1 (0.38) | — | |
| SCHEMBL23765660 | 0.78 | MEN1 (0.38) | — |
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-105764881-B | Method for separating N, N, N' -trimethylbisaminoethylether and/or N, N-dimethylbisaminoethylether from a mixture | 亨斯迈匈牙利有限公司 | 2017-12-12 | — | — | CN | disclosed |