⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8458175 | 0.75 | — | — | |
| SCHEMBL12569887 | 0.69 | P2RX7 (0.38) | — | |
| SCHEMBL23266336 | 0.62 | CES1 (0.37) | — | |
| SCHEMBL23113893 | 0.62 | — | — | |
| SCHEMBL11203688 | 0.62 | — | — | |
| SCHEMBL19065228 | 0.62 | — | — | |
| SCHEMBL24386404 | 0.60 | CES1 (0.33) | — | |
| SCHEMBL14592161 | 0.60 | — | — | |
| SCHEMBL4194309 | 0.59 | CES1 (0.32) | — | |
| SCHEMBL19426555 | 0.57 | DGAT1 (0.35) | — |
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 |