⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18349414 | 0.86 | CA12 (0.30) | — | |
| SCHEMBL18349406 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL17995272 | 0.82 | — | — | |
| SCHEMBL10048330 | 0.79 | — | — | |
| SCHEMBL10048331 | 0.79 | — | — | |
| SCHEMBL4262923 | 0.79 | — | — | |
| SCHEMBL10497082 | 0.78 | — | — | |
| SCHEMBL16412152 | 0.78 | — | — | |
| SCHEMBL19357487 | 0.78 | — | — | |
| SCHEMBL2243763 | 0.78 | — | — |
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 2 patents. 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 |
| EP-2881394-B1 | CONDENSED RING HETEROCYCLIC COMPOUND | KYOWA HAKKO KIRIN CO LTD (JP) | 2018-03-21 | — | — | EP | disclosed |