⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28213612 | 0.79 | FFAR3 (0.30) | — | |
| SCHEMBL1318886 | 0.79 | — | — | |
| SCHEMBL17479482 | 0.79 | — | — | |
| SCHEMBL237527 | 0.76 | — | — | |
| SCHEMBL47857 | 0.75 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL7679426 | 0.74 | — | — | |
| SCHEMBL2727812 | 0.72 | — | — | |
| SCHEMBL1648363 | 0.71 | — | — | |
| SCHEMBL5789431 | 0.71 | — | — | |
| SCHEMBL6440570 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0259159-A2 | Method for the preparation of alpha1- [[(1,1-Dimethylethyl) amino] methyl]-4-hydroxy-1,3-benzenedimethanol, and intermediates used in its preparation | SCHERING CORPORATION (US) | 1988-03-09 | — | — | EP | disclosed |