⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL9557946 | 0.89 | — | — | |
| Acetone SCHEMBL29220764 | 0.86 | — | — | |
| Propylamine SCHEMBL15456238 | 0.86 | — | — | |
| Acetic Acid SCHEMBL29827134 | 0.86 | FFAR3 (0.50) | — | |
| Acetic Acid SCHEMBL25215621 | 0.86 | FFAR3 (0.50) | — | |
| Acetic Acid SCHEMBL25240316 | 0.86 | FFAR3 (0.50) | — | |
| Acetic Acid SCHEMBL1807476 | 0.86 | — | — | |
| Acetamide SCHEMBL8445429 | 0.85 | LMNA (0.67) | — | |
| Acetamide SCHEMBL2162710 | 0.85 | LMNA (0.67) | — | |
| Acetamide SCHEMBL27763014 | 0.85 | — | — |
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-108349969-A | Substituted pyrazolo [1,5-a ] pyridine compounds as RET kinase inhibitors | 阵列生物制药公司 | 2018-07-31 | — | — | CN | disclosed |