⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3834778 | 0.69 | — | — | |
| SCHEMBL14941162 | 0.64 | — | — | |
| SCHEMBL5623656 | 0.59 | — | — | |
| SCHEMBL6232688 | 0.58 | — | — | |
| SCHEMBL11475890 | 0.58 | LOX (0.32) | — | |
| SCHEMBL3203297 | 0.58 | — | — | |
| SCHEMBL9765937 | 0.56 | — | — | |
| SCHEMBL11100972 | 0.56 | — | — | |
| SCHEMBL6325933 | 0.56 | — | — | |
| SCHEMBL2451514 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2562265-A1 | Susceptibility to selective CDK9 inhibitors | Lead Discovery Center GmbH (DE) | 2013-02-27 | — | — | EP | disclosed |