⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21702102 | 0.81 | CTSL (0.35) | — | |
| SCHEMBL23506365 | 0.80 | CTSL (0.37) | — | |
| SCHEMBL23721438 | 0.80 | CTSL (0.46) | — | |
| SCHEMBL23506363 | 0.79 | CTSL (0.44) | — | |
| SCHEMBL21702101 | 0.79 | CTSL (0.44) | — | |
| SCHEMBL23722940 | 0.78 | — | — | |
| SCHEMBL24766219 | 0.78 | — | — | |
| SCHEMBL24766230 | 0.77 | RAB9A (0.44) | — | |
| SCHEMBL23722385 | 0.77 | KDM4E (0.47) | — | |
| SCHEMBL24766499 | 0.77 | PSMB11 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4098653-A1 | PHARMACEUTICAL USE OF ALDEHYDE-BASED COMPOUND | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2022-12-07 | — | — | EP | disclosed |