⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19904961 | 0.74 | LMNA (0.33) | — | |
| SCHEMBL23265523 | 0.74 | LMNA (0.33) | — | |
| SCHEMBL6923986 | 0.66 | — | — | |
| SCHEMBL14342236 | 0.66 | — | — | |
| SCHEMBL19266734 | 0.65 | — | — | |
| SCHEMBL26948258 | 0.64 | — | — | |
| SCHEMBL13848502 | 0.62 | PIK3CD (0.32) | — | |
| SCHEMBL24850781 | 0.61 | — | — | |
| SCHEMBL12197802 | 0.61 | — | — | |
| SCHEMBL22135496 | 0.61 | OR51E2 (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-2021018194-A1 | HETEROCYCLIC COMPOUNDS AS BCR-ABL INHIBITORS | ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) | 2021-02-04 | — | — | WO | disclosed |