⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24922079 | 0.98 | ADH1B (0.31) | — | |
| SCHEMBL24922076 | 0.96 | KDM1A (0.31) | — | |
| SCHEMBL15213173 | 0.92 | ADH1B (0.30) | — | |
| SCHEMBL24818701 | 0.76 | GAA (0.37) | — | |
| SCHEMBL20095285 | 0.75 | SLC6A4 (0.35) | — | |
| Hydrochloric Acid SCHEMBL23086823 | 0.74 | GAA (0.40) | — | |
| SCHEMBL24920703 | 0.74 | GAA (0.36) | — | |
| Hydrochloric Acid SCHEMBL23086400 | 0.74 | SLC6A4 (0.34) | — | |
| SCHEMBL24920411 | 0.74 | SLC6A4 (0.38) | — | |
| SCHEMBL1245675 | 0.73 | — | — |
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 |