⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29068580 | 0.73 | — | — | |
| SCHEMBL20769852 | 0.69 | — | — | |
| SCHEMBL14775614 | 0.67 | — | — | |
| SCHEMBL9577230 | 0.65 | — | — | |
| SCHEMBL23040299 | 0.63 | — | — | |
| SCHEMBL29056402 | 0.63 | — | — | |
| SCHEMBL16286418 | 0.61 | — | — | |
| SCHEMBL10431896 | 0.59 | — | — | |
| SCHEMBL14781526 | 0.58 | — | — | |
| SCHEMBL14702982 | 0.57 | — | — |
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-2020020308-A1 | BRD4 INHIBITOR, PREPARATION METHOD AND USE THEREOF | 成都海创药业有限公司 | 2020-01-30 | — | — | WO | disclosed |