⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4117080 | 0.85 | PIK3CD (0.31) | — | |
| Hydrochloric Acid SCHEMBL15847474 | 0.83 | CD38 (0.31) | — | |
| SCHEMBL12385859 | 0.78 | — | — | |
| SCHEMBL21048003 | 0.76 | — | — | |
| SCHEMBL21048004 | 0.76 | — | — | |
| SCHEMBL12065407 | 0.75 | HRH3 (0.41) | — | |
| SCHEMBL22351904 | 0.74 | LIPA (0.36) | — | |
| SCHEMBL12384722 | 0.74 | LIPA (0.36) | — | |
| SCHEMBL24449570 | 0.73 | THRA (0.33) | — | |
| SCHEMBL12049731 | 0.71 | NOS2 (0.47) | — |
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-2023142754-A1 | EZH1/2 INHIBITOR, PREPARATION THEREOF, AND USE THEREOF IN ANTI-TUMOR THERAPY | 江苏天士力帝益药业有限公司 | 2023-08-03 | — | — | WO | disclosed |