⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2430181 | 1.00 | — | — | |
| SCHEMBL11019484 | 0.96 | — | — | |
| Bromide SCHEMBL6770232 | 0.74 | — | — | |
| Fluoride SCHEMBL21816906 | 0.74 | CA1 (0.57) | — | |
| SCHEMBL6560890 | 0.74 | — | — | |
| SCHEMBL10300262 | 0.67 | BCL2L1 (0.55) | — | |
| SCHEMBL12562793 | 0.67 | BCL2L1 (0.55) | — | |
| SCHEMBL10337645 | 0.67 | BCL2L1 (0.55) | — | |
| SCHEMBL197346 | 0.67 | BCL2L1 (0.55) | — | |
| Iodide SCHEMBL5448459 | 0.65 | CA1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117597345-A | Heterocyclic derivatives as CaMKK2 inhibitors | 百时美施贵宝公司 | 2024-02-23 | — | — | CN | disclosed |