⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29319539 | 0.70 | — | — | |
| SCHEMBL19457262 | 0.64 | — | — | |
| SCHEMBL22680429 | 0.61 | — | — | |
| SCHEMBL11609739 | 0.58 | ALDH1A1 (0.35) | — | |
| SCHEMBL22679955 | 0.57 | — | — | |
| SCHEMBL22679766 | 0.57 | — | — | |
| SCHEMBL19075181 | 0.50 | — | — | |
| SCHEMBL1123838 | 0.49 | — | — | |
| SCHEMBL21755790 | 0.48 | — | — | |
| SCHEMBL22700122 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020154541-A1 | COMPACT HYDROXAMATE-BASED AFFINITY TAGS FOR ARTIFICIALLY TAGGING BIOLOGICAL MACROMOLECULES | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2020-07-30 | — | — | WO | disclosed |