⚠ 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL28509251 | 0.80 | LMNA (0.35) | — | |
| SCHEMBL664028 | 0.79 | — | — | |
| SCHEMBL26089291 | 0.65 | APP (0.39) | — | |
| SCHEMBL17273033 | 0.65 | MEN1 (0.36) | — | |
| SCHEMBL30103901 | 0.65 | LMNA (0.47) | — | |
| SCHEMBL16050343 | 0.65 | LMNA (0.47) | — | |
| SCHEMBL21526429 | 0.64 | NSD2 (0.32) | — | |
| SCHEMBL28917540 | 0.64 | HTR7 (0.35) | — | |
| SCHEMBL29183833 | 0.63 | LMNA (0.33) | — | |
| SCHEMBL6596844 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111423417-B | Substituted reverse pyrimidine Bmi-1 inhibitors | PTC医疗公司 | 2022-11-15 | — | — | CN | disclosed |
| CN-111423417-A | Substituted reverse pyrimidine Bmi-1 inhibitors | PTC医疗公司 | 2020-07-17 | — | — | CN | disclosed |