⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL828082 | 1.00 | — | — | |
| SCHEMBL1106628 | 0.81 | — | — | |
| SCHEMBL2538708 | 0.80 | CA12 (0.53) | — | |
| Hydrochloric Acid SCHEMBL29090737 | 0.79 | CA12 (0.48) | — | |
| SCHEMBL14422873 | 0.79 | — | — | |
| SCHEMBL12934590 | 0.78 | CYP1A2 (0.49) | — | |
| Hydrochloric Acid SCHEMBL27935953 | 0.78 | CA12 (0.52) | — | |
| SCHEMBL28480029 | 0.77 | CHRNB2 (0.40) | — | |
| SCHEMBL15596168 | 0.77 | CHRNB2 (0.47) | — | |
| SCHEMBL9372692 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240067632-A1 | WEE1 Degrading Compounds and Uses Thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2024-02-29 | — | — | US | disclosed |