⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18921244 | 0.78 | — | — | |
| SCHEMBL207289 | 0.75 | KDM4E (0.31) | — | |
| Bromide SCHEMBL2439098 | 0.74 | KDM4E (0.30) | — | |
| Iodide SCHEMBL4566524 | 0.74 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL572631 | 0.74 | KDM4E (0.33) | — | |
| Hydrochloric Acid SCHEMBL6244577 | 0.73 | — | — | |
| Acetic Acid SCHEMBL14164758 | 0.72 | — | — | |
| SCHEMBL6242616 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6241788 | 0.70 | — | — | |
| SCHEMBL14938359 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005026179-A1 | IONIC LIQUIDS CONTAINING SECONDARY HYDROXYL-GROUPS AND A METHOD FOR THEIR PREPARATION | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2005-03-24 | — | — | WO | claimed |
| WO-2005026179-A1 | IONIC LIQUIDS CONTAINING SECONDARY HYDROXYL-GROUPS AND A METHOD FOR THEIR PREPARATION | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2005-03-24 | — | — | WO | disclosed |