⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21622456 | 0.78 | METAP1 (0.32) | — | |
| SCHEMBL28613469 | 0.75 | — | — | |
| SCHEMBL21622805 | 0.74 | METAP1 (0.30) | — | |
| SCHEMBL17637300 | 0.73 | METAP1 (0.33) | — | |
| SCHEMBL22731355 | 0.71 | DNM1 (0.31) | — | |
| SCHEMBL21925384 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL25638093 | 0.70 | — | — | |
| SCHEMBL13293188 | 0.70 | METAP1 (0.31) | — | |
| SCHEMBL27963072 | 0.67 | — | — | |
| SCHEMBL583105 | 0.66 | — | — |
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-2022013728-A1 | NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP. (KR) | 2022-01-20 | — | — | WO | disclosed |