⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3068424 | 0.81 | HDAC1 (0.33) | — | |
| SCHEMBL20875297 | 0.75 | — | — | |
| SCHEMBL22712720 | 0.75 | — | — | |
| SCHEMBL31423469 | 0.75 | ALOX15 (0.34) | — | |
| SCHEMBL20585886 | 0.72 | SLC6A9 (0.35) | — | |
| SCHEMBL29163765 | 0.71 | SLC6A1 (0.46) | — | |
| SCHEMBL4620934 | 0.71 | CHRM3 (0.38) | — | |
| SCHEMBL19971648 | 0.70 | CHRNB2 (0.36) | — | |
| SCHEMBL19971647 | 0.70 | CHRNB2 (0.36) | — | |
| SCHEMBL18517356 | 0.70 | CHRNB2 (0.36) | — |
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 |