⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17621626 | 0.72 | — | — | |
| SCHEMBL16344709 | 0.69 | — | — | |
| SCHEMBL16344821 | 0.67 | — | — | |
| SCHEMBL12685938 | 0.61 | — | — | |
| SCHEMBL1447877 | 0.54 | — | — | |
| SCHEMBL1865765 | 0.54 | — | — | |
| SCHEMBL25304654 | 0.53 | — | — | |
| SCHEMBL13729646 | 0.53 | — | — | |
| SCHEMBL25304807 | 0.53 | — | — | |
| SCHEMBL15001360 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018136202-A2 | COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR | PLEXXIKON INC. (US) | 2018-07-26 | — | — | WO | disclosed |