⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2639371 | 0.79 | — | — | |
| Bromoacetal SCHEMBL103234 | 0.79 | — | — | |
| Bromoacetal SCHEMBL11383920 | 0.77 | THRB (0.42) | — | |
| SCHEMBL10430663 | 0.69 | CA1 (0.31) | — | |
| SCHEMBL320691 | 0.69 | — | — | |
| SCHEMBL13430505 | 0.67 | — | — | |
| SCHEMBL8949465 | 0.67 | THRB (0.33) | — | |
| SCHEMBL6031309 | 0.67 | — | — | |
| SCHEMBL24176769 | 0.67 | LMNA (0.38) | — | |
| SCHEMBL19225680 | 0.66 | CYP2C19 (0.40) | — |
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-2023000834-A1 | BENZIMIDAZOLE OR AZABENZIMIDAZOLE-6-CARBOXYLIC ACID COMPOUND AND USE THEREOF | 广州必贝特医药股份有限公司 | 2023-01-26 | — | — | WO | disclosed |