⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL509413 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL22189934 | 0.76 | — | — | |
| SCHEMBL31305866 | 0.72 | — | — | |
| Methyl Alcohol SCHEMBL27906388 | 0.71 | — | — | |
| SCHEMBL29791400 | 0.67 | CYP19A1 (0.44) | — | |
| SCHEMBL30339238 | 0.63 | CYP11B2 (0.47) | — | |
| Acetic Acid SCHEMBL28238009 | 0.63 | HCAR2 (0.48) | — | |
| SCHEMBL31482251 | 0.62 | — | — | |
| SCHEMBL32688637 | 0.59 | — | — | |
| SCHEMBL31061772 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022270987-A1 | AURKA SELECTIVE DEGRADATION INDUCING COMPOUND | (주) 업테라 | 2022-12-29 | — | — | WO | disclosed |
| CN-115260105-A | Aromatic heterocyclic carbamic acid compound and preparation method and application thereof | 启东东岳药业有限公司 | 2022-11-01 | — | — | CN | disclosed |