⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21810960 | 0.75 | HCAR2 (1.00) | — | |
| SCHEMBL12500579 | 0.72 | — | — | |
| SCHEMBL25429844 | 0.70 | — | — | |
| SCHEMBL18985097 | 0.70 | — | — | |
| SCHEMBL20168010 | 0.70 | — | — | |
| SCHEMBL27766234 | 0.65 | HCAR2 (0.44) | — | |
| SCHEMBL4916584 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL28539580 | 0.64 | HCAR2 (0.42) | — | |
| SCHEMBL15728413 | 0.64 | HCAR2 (0.42) | — | |
| SCHEMBL17351607 | 0.64 | HCAR2 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4562015-A2 | CDK2 INHIBITORS AND METHODS OF USING THE SAME | Cedilla Therapeutics, Inc. (US) | 2025-06-04 | — | — | EP | disclosed |
| WO-2024026481-A2 | CDK2 INHIBITORS AND METHODS OF USING THE SAME | CEDILLA THERAPEUTICS, INC. (US) | 2024-02-01 | — | — | WO | disclosed |