⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16306651 | 0.79 | KDM4E (0.34) | — | |
| SCHEMBL23875183 | 0.77 | — | — | |
| SCHEMBL24316187 | 0.76 | KDM4E (0.38) | — | |
| SCHEMBL20192230 | 0.76 | HSD11B1 (0.35) | — | |
| SCHEMBL25071694 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL20224803 | 0.74 | HSD11B1 (0.38) | — | |
| SCHEMBL24341894 | 0.74 | OPRM1 (0.36) | — | |
| SCHEMBL21427114 | 0.73 | HSD11B1 (0.32) | — | |
| SCHEMBL25843033 | 0.72 | SIGMAR1 (0.36) | — | |
| SCHEMBL24342357 | 0.72 | OPRM1 (0.38) | — |
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-2021194878-A1 | SELECTIVE MODULATORS OF MUTANT LRRK2 PROTEOLYSIS AND ASSOCIATED METHODS OF USE | ARVINAS OPERATIONS, INC. (US) | 2021-09-30 | — | — | WO | disclosed |