⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22852013 | 0.73 | SLC6A2 (0.40) | — | |
| SCHEMBL17033032 | 0.63 | JAK2 (0.33) | — | |
| SCHEMBL15534431 | 0.63 | CYP2D6 (0.31) | — | |
| SCHEMBL19011624 | 0.63 | — | — | |
| SCHEMBL24758263 | 0.63 | PIK3CD (0.34) | — | |
| SCHEMBL24302279 | 0.62 | — | — | |
| SCHEMBL15533538 | 0.61 | CYP2D6 (0.31) | — | |
| SCHEMBL31566769 | 0.60 | — | — | |
| SCHEMBL15891572 | 0.60 | CYP2D6 (0.33) | — | |
| SCHEMBL20147352 | 0.60 | CYP2D6 (0.33) | — |
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-2024129780-A1 | BENZIMIDAZOLE DERIVATIVES AS GPX4 INHIBITORS | SONATA THERAPEUTICS, INC. (US) | 2024-06-20 | — | — | WO | disclosed |
| WO-2022155941-A1 | CDK2 INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2022-07-28 | — | — | WO | disclosed |