⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15999685 | 0.74 | BRD4 (0.52) | — | |
| SCHEMBL15731297 | 0.72 | — | — | |
| SCHEMBL15999688 | 0.72 | BRD4 (0.50) | — | |
| SCHEMBL435095 | 0.72 | — | — | |
| SCHEMBL18889063 | 0.72 | — | — | |
| SCHEMBL23343743 | 0.70 | — | — | |
| SCHEMBL353917 | 0.70 | — | — | |
| SCHEMBL15730988 | 0.70 | — | — | |
| SCHEMBL16609864 | 0.70 | — | — | |
| SCHEMBL24491620 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105732624-A | Preparation method and application of pyrrole [4,3,2-de] quinoline-2-(1H)-ketone BRD4 protein inhibitor | 中国药科大学 | 2016-07-06 | — | — | CN | claimed |
| CN-105732624-A | Preparation method and application of pyrrole [4,3,2-de] quinoline-2-(1H)-ketone BRD4 protein inhibitor | 中国药科大学 | 2016-07-06 | — | — | CN | disclosed |