⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3089462 | 0.79 | FUCA1 (0.33) | — | |
| SCHEMBL18569094 | 0.79 | FUCA1 (0.33) | — | |
| SCHEMBL3590322 | 0.79 | FUCA1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL15547502 | 0.77 | FUCA1 (0.32) | — | |
| SCHEMBL27281914 | 0.69 | — | — | |
| SCHEMBL13674461 | 0.69 | — | — | |
| SCHEMBL4746456 | 0.69 | — | — | |
| SCHEMBL19529324 | 0.69 | — | — | |
| SCHEMBL23559839 | 0.65 | FUCA1 (0.37) | — | |
| SCHEMBL3543013 | 0.65 | ACHE (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230257372-A1 | NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2023-08-17 | — | — | US | disclosed |