⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18935699 | 0.65 | — | — | |
| SCHEMBL10798661 | 0.63 | — | — | |
| SCHEMBL3253837 | 0.58 | LMNA (0.33) | — | |
| SCHEMBL1018739 | 0.58 | — | — | |
| SCHEMBL14409804 | 0.57 | — | — | |
| SCHEMBL3908272 | 0.54 | — | — | |
| SCHEMBL15657019 | 0.54 | — | — | |
| SCHEMBL1093753 | 0.54 | — | — | |
| SCHEMBL13902820 | 0.52 | — | — | |
| SCHEMBL1243281 | 0.52 | — | — |
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-20210276992-A1 | INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION | MERCK SHARP & DOHME CORP. (US) | 2021-09-09 | — | — | US | disclosed |