⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15235886 | 0.68 | — | — | |
| SCHEMBL15235885 | 0.68 | NUDT1 (0.34) | — | |
| SCHEMBL251527 | 0.67 | — | — | |
| SCHEMBL9207080 | 0.65 | MEN1 (0.37) | — | |
| SCHEMBL5962515 | 0.65 | KDM4E (0.31) | — | |
| SCHEMBL6893781 | 0.64 | PIK3CG (0.31) | — | |
| SCHEMBL21293246 | 0.64 | — | — | |
| SCHEMBL13681680 | 0.64 | — | — | |
| SCHEMBL16673289 | 0.62 | L3MBTL1 (0.37) | — | |
| SCHEMBL2679938 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9486422-B2 | Small molecule inhibitors of Mcl-1 and the uses of thereof | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2016-11-08 | — | — | US | disclosed |