⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11746131 | 0.65 | — | — | |
| SCHEMBL762384 | 0.62 | — | — | |
| SCHEMBL25601643 | 0.60 | — | — | |
| Water SCHEMBL28936012 | 0.60 | — | — | |
| SCHEMBL20881044 | 0.60 | — | — | |
| SCHEMBL29908520 | 0.60 | — | — | |
| SCHEMBL8390012 | 0.60 | — | — | |
| SCHEMBL17589118 | 0.59 | — | — | |
| SCHEMBL13507263 | 0.59 | — | — | |
| SCHEMBL14985654 | 0.58 | — | — |
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-105555786-A | Substituted dihydropyrido [3,4-b ] pyrazinones as dual inhibitors of BET proteins and polo-like kinases | Bayer Pharma AG | 2016-05-04 | — | — | CN | disclosed |