⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28312694 | 0.86 | — | — | |
| SCHEMBL27651271 | 0.86 | — | — | |
| SCHEMBL28051999 | 0.86 | — | — | |
| SCHEMBL22999946 | 0.81 | — | — | |
| SCHEMBL15769582 | 0.80 | MMP2 (0.32) | — | |
| SCHEMBL15769365 | 0.80 | MMP2 (0.32) | — | |
| SCHEMBL431607 | 0.80 | MMP2 (0.32) | — | |
| SCHEMBL4307041 | 0.71 | — | — | |
| SCHEMBL17422995 | 0.70 | MMP2 (0.49) | — | |
| SCHEMBL27992300 | 0.69 | MMP2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117858879-A | CDK2/4/6 inhibitor and preparation method and application thereof | 南京再明医药有限公司 | 2024-04-09 | — | — | CN | disclosed |