⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12427405 | 0.86 | — | — | |
| SCHEMBL21338973 | 0.83 | — | — | |
| SCHEMBL21338975 | 0.83 | — | — | |
| SCHEMBL20181185 | 0.83 | — | — | |
| SCHEMBL22332820 | 0.77 | — | — | |
| SCHEMBL22810507 | 0.77 | — | — | |
| SCHEMBL21339456 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL19573813 | 0.72 | — | — | |
| SCHEMBL22812881 | 0.72 | — | — | |
| SCHEMBL19573970 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210147382-A1 | BENZIMIDAZOLONE DERIVED INHIBITORS OF BCL6 | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2021-05-20 | — | — | US | disclosed |
| WO-2007144512-A2 | DIAZENIUMDIOLATE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS THEREOF, AND USE OF SAME IN THE FIELDS OF HYPERTENSION AND CARDIOVASCULAR PATHOLOGIES | LES LABORATOIRES SERVIER (FR) | 2007-12-21 | — | — | WO | disclosed |