⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20038176 | 0.81 | — | — | |
| SCHEMBL4242930 | 0.79 | DRD2 (0.57) | — | |
| SCHEMBL4249668 | 0.79 | DRD2 (0.57) | — | |
| SCHEMBL27482516 | 0.79 | — | — | |
| SCHEMBL18290968 | 0.79 | DRD2 (0.57) | — | |
| SCHEMBL28029555 | 0.75 | DRD2 (0.46) | — | |
| SCHEMBL29817868 | 0.75 | POLB (0.36) | — | |
| SCHEMBL5756194 | 0.74 | DRD2 (0.44) | — | |
| SCHEMBL6978615 | 0.74 | DRD2 (0.41) | — | |
| SCHEMBL27926837 | 0.74 | DRD2 (0.48) | — |
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-106008533-A | Cdk inhibitors | G1治疗公司 | 2016-10-12 | — | — | CN | claimed |