⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6746591 | 0.75 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL34145 | 0.75 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL27317753 | 0.75 | TDP1 (0.38) | — | |
| SCHEMBL6138482 | 0.75 | — | — | |
| Dimethylketone Cyanohydrin SCHEMBL29665840 | 0.75 | — | — | |
| SCHEMBL7961659 | 0.72 | — | — | |
| Iodide SCHEMBL8756258 | 0.72 | — | — | |
| SCHEMBL9936477 | 0.72 | — | — | |
| SCHEMBL1527759 | 0.72 | TDP1 (0.35) | — | |
| Dimethylketone Cyanohydrin SCHEMBL27743725 | 0.72 | — | — |
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-1991015592-A1 | A SIMPLE, RAPID AND RELIABLE METHOD FOR DETECTING THALASSEMIA | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, UNITED STATES DEPARTMENT OF COMMERCE (US) | 1991-10-17 | — | — | WO | disclosed |