⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25348163 | 1.00 | — | — | |
| SCHEMBL26039790 | 1.00 | — | — | |
| SCHEMBL26039843 | 0.85 | CCNE1 (0.35) | — | |
| SCHEMBL26037839 | 0.85 | CYP3A4 (0.31) | — | |
| SCHEMBL25349913 | 0.82 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL25347799 | 0.82 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL25347566 | 0.80 | CCNE1 (0.43) | — | |
| SCHEMBL31059760 | 0.80 | CCNE1 (0.43) | — | |
| SCHEMBL22286736 | 0.79 | CCNE1 (0.37) | — | |
| SCHEMBL31028793 | 0.79 | CCNE1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240317777-A1 | NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS | ACCUTAR BIOTECHNOLOGY INC. (US) | 2024-09-26 | — | — | US | disclosed |
| WO-2024178335-A2 | NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS | ACCUTAR BIOTECHNOLOGY, INC. (US) | 2024-08-29 | — | — | WO | disclosed |