⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2264884 | 0.77 | — | — | |
| SCHEMBL24029295 | 0.72 | CTSB (0.41) | — | |
| SCHEMBL671159 | 0.71 | — | — | |
| SCHEMBL28023093 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL3828528 | 0.68 | — | — | |
| SCHEMBL2461368 | 0.67 | — | — | |
| SCHEMBL9550363 | 0.67 | — | — | |
| Acetonitrile SCHEMBL1345637 | 0.67 | ALDH1A1 (0.37) | — | |
| Acetonitrile SCHEMBL1781035 | 0.67 | — | — | |
| Water SCHEMBL461938 | 0.64 | — | — |
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-2021231778-A1 | CORONAVIRUS PROTEASE DEGRADERS AND USES THEREOF | KYMERA THERAPEUTICS, INC. (US) | 2021-11-18 | — | — | WO | disclosed |