⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31059664 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023154426-A1 | CDK INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-08-17 | — | — | WO | disclosed |