⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42630 | 1.00 | — | — | |
| SCHEMBL21813430 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL10822821 | 0.97 | — | — | |
| SCHEMBL7608763 | 0.95 | MMP1 (0.50) | — | |
| SCHEMBL6935036 | 0.91 | MMP1 (0.47) | — | |
| SCHEMBL11963867 | 0.82 | — | — | |
| SCHEMBL16312318 | 0.80 | MMP1 (0.56) | — | |
| SCHEMBL28709191 | 0.80 | CYP2D6 (0.42) | — | |
| SCHEMBL1276559 | 0.80 | MMP1 (0.56) | — | |
| SCHEMBL21813866 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240294506-A1 | CDK2 INHIBITORS | PFIZER INC. (US) | 2024-09-05 | — | — | US | disclosed |
| US-11773082-B2 | CDK2 inhibitors | PFIZER INC. (US) | 2023-10-03 | — | — | US | disclosed |
| US-11718603-B2 | CDK2 inhibitors | PFIZER INC. (US) | 2023-08-08 | — | — | US | disclosed |