⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23710146 | 0.82 | RPS6KB1 (0.34) | — | |
| SCHEMBL24920855 | 0.78 | L3MBTL1 (0.38) | — | |
| SCHEMBL24621673 | 0.73 | — | — | |
| SCHEMBL10284652 | 0.70 | — | — | |
| SCHEMBL22102452 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL4328560 | 0.69 | L3MBTL1 (0.33) | — | |
| SCHEMBL23396577 | 0.69 | — | — | |
| SCHEMBL26729220 | 0.69 | — | — | |
| SCHEMBL22149899 | 0.69 | — | — | |
| SCHEMBL23197908 | 0.68 | BRD4 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023006097-A1 | BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER | 海创药业股份有限公司 | 2023-02-02 | — | — | WO | disclosed |
| CN-111629728-A | Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor | 科尔沃斯制药股份有限公司 | 2020-09-04 | — | — | CN | disclosed |