⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24922004 | 0.77 | NPC1 (0.33) | — | |
| SCHEMBL24921984 | 0.75 | SIRT6 (0.37) | — | |
| SCHEMBL24921966 | 0.75 | MAOB (0.39) | — | |
| SCHEMBL24920834 | 0.73 | CYP1A1 (0.35) | — | |
| SCHEMBL24921965 | 0.70 | KDM4E (0.30) | — | |
| SCHEMBL24921545 | 0.69 | MKNK1 (0.47) | — | |
| SCHEMBL24922001 | 0.69 | — | — | |
| SCHEMBL24920823 | 0.69 | CYP2C19 (0.41) | — | |
| SCHEMBL24921141 | 0.69 | GABRG2 (0.44) | — | |
| SCHEMBL24920882 | 0.69 | GUCY1B2 (0.42) | — |
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-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 |