⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9547189 | 0.77 | HDAC8 (0.52) | — | |
| SCHEMBL372970 | 0.76 | HDAC8 (0.46) | — | |
| SCHEMBL1829114 | 0.74 | APOBEC3A (0.46) | — | |
| Fluoride Ion SCHEMBL1898517 | 0.74 | HDAC8 (0.45) | — | |
| SCHEMBL3458293 | 0.74 | APOBEC3A (0.54) | — | |
| SCHEMBL13822408 | 0.72 | APOBEC3A (0.45) | — | |
| SCHEMBL1835131 | 0.71 | HDAC8 (0.42) | — | |
| SCHEMBL1834121 | 0.71 | APOBEC3A (0.51) | — | |
| Hydrochloric Acid SCHEMBL30980120 | 0.71 | HDAC8 (0.45) | — | |
| SCHEMBL13822394 | 0.70 | APOBEC3A (0.43) | — |
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-11642665-B2 | Enantiomerically enriched, polycrystalline molecular sieves | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2023-05-09 | — | — | US | disclosed |