⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3955713 | 1.00 | — | — | |
| SCHEMBL17441217 | 0.96 | TSHR (0.32) | — | |
| SCHEMBL30694197 | 0.96 | TSHR (0.32) | — | |
| SCHEMBL21555722 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL23327541 | 0.75 | CA12 (0.33) | — | |
| SCHEMBL18152991 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL6441867 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL7904056 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL30484388 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL28707014 | 0.71 | — | — |
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-4153591-A1 | METHODS OF MAKING WEE1 INHIBITOR COMPOUNDS | Recurium IP Holdings, LLC (US) | 2023-03-29 | — | — | EP | disclosed |