⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18698696 | 0.89 | — | — | |
| SCHEMBL25739661 | 0.80 | — | — | |
| SCHEMBL25893639 | 0.80 | — | — | |
| SCHEMBL22254588 | 0.68 | — | — | |
| SCHEMBL26371398 | 0.61 | — | — | |
| SCHEMBL164676 | 0.61 | — | — | |
| SCHEMBL133489 | 0.61 | — | — | |
| SCHEMBL635168 | 0.61 | ROCK2 (0.37) | — | |
| SCHEMBL511273 | 0.61 | — | — | |
| Cyanide SCHEMBL27979072 | 0.60 | — | — |
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-2023119233-A1 | DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF | MOLECURE S.A. (PL) | 2023-06-29 | — | — | WO | disclosed |