⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11075334 | 0.74 | — | — | |
| SCHEMBL19006928 | 0.74 | — | — | |
| SCHEMBL19962843 | 0.70 | — | — | |
| SCHEMBL26077097 | 0.69 | — | — | |
| SCHEMBL3071314 | 0.67 | — | — | |
| SCHEMBL1720575 | 0.67 | — | — | |
| SCHEMBL2795931 | 0.67 | — | — | |
| SCHEMBL1298104 | 0.65 | — | — | |
| SCHEMBL2845882 | 0.65 | — | — | |
| SCHEMBL28033672 | 0.65 | — | — |
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-2020237262-A1 | COMPOSITIONS AND METHODS RELATED TO TETHERED KETHOXAL DERIVATIVES | THE UNIVERSITY OF CHICAGO (US) | 2020-11-26 | — | — | WO | disclosed |