⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12173634 | 0.94 | — | — | |
| SCHEMBL20880512 | 0.94 | — | — | |
| SCHEMBL6888123 | 0.94 | — | — | |
| SCHEMBL22415818 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL15542241 | 0.92 | — | — | |
| SCHEMBL28224888 | 0.84 | — | — | |
| SCHEMBL29080872 | 0.82 | — | — | |
| SCHEMBL17780139 | 0.80 | IRAK1 (0.30) | — | |
| SCHEMBL17780138 | 0.80 | IRAK1 (0.30) | — | |
| SCHEMBL17780151 | 0.80 | IRAK1 (0.30) | — |
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-2022095756-A1 | MUTANT IDH1 AND IDH2 INHIBITOR AND APPLICATION THEREOF | 贝达药业股份有限公司 | 2022-05-12 | — | — | WO | disclosed |