⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9675535 | 0.89 | — | — | |
| SCHEMBL27801025 | 0.81 | — | — | |
| SCHEMBL17106593 | 0.80 | — | — | |
| SCHEMBL26105401 | 0.71 | CARM1 (0.34) | — | |
| SCHEMBL4569268 | 0.69 | TP53 (0.46) | — | |
| SCHEMBL1106464 | 0.69 | HRH3 (0.37) | — | |
| SCHEMBL3893979 | 0.67 | GPR119 (0.34) | — | |
| SCHEMBL17625290 | 0.67 | — | — | |
| SCHEMBL9611082 | 0.67 | ATM (0.32) | — | |
| SCHEMBL22959617 | 0.67 | — | — |
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-2020211822-A1 | A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF | 成都海创药业有限公司 | 2020-10-22 | — | — | WO | disclosed |