⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17827115 | 0.72 | MAPT (0.46) | — | |
| SCHEMBL9491023 | 0.69 | KDM4E (0.33) | — | |
| P-Xylene SCHEMBL17907468 | 0.68 | TSHR (0.57) | — | |
| SCHEMBL8041723 | 0.68 | SIRT1 (0.35) | — | |
| SCHEMBL1782840 | 0.68 | CHRNB2 (0.30) | — | |
| SCHEMBL8054370 | 0.67 | CXCR2 (0.32) | — | |
| SCHEMBL13830756 | 0.66 | MEN1 (0.44) | — | |
| SCHEMBL10573037 | 0.65 | ALDH1A1 (0.34) | — | |
| SCHEMBL17293547 | 0.64 | — | — | |
| SCHEMBL1659298 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3957633-A1 | A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF | Hinova Pharmaceuticals Inc. (CN) | 2022-02-23 | — | — | EP | disclosed |