⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29755047 | 1.00 | — | — | |
| SCHEMBL24676592 | 0.89 | — | — | |
| SCHEMBL29754856 | 0.89 | — | — | |
| SCHEMBL29755005 | 0.81 | — | — | |
| SCHEMBL24676862 | 0.81 | — | — | |
| SCHEMBL29754910 | 0.79 | ATF1 (0.32) | — | |
| SCHEMBL24675972 | 0.78 | ATF1 (0.32) | — | |
| SCHEMBL29754824 | 0.78 | ATF1 (0.32) | — | |
| SCHEMBL24676991 | 0.77 | ATF1 (0.34) | — | |
| SCHEMBL29754962 | 0.77 | ATF1 (0.34) | — |
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-2022155941-A1 | CDK2 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2022-07-28 | — | — | WO | disclosed |