⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9060289 | 0.95 | SIGMAR1 (0.58) | — | |
| SCHEMBL28300346 | 0.93 | SIGMAR1 (0.61) | — | |
| SCHEMBL11301865 | 0.93 | SIGMAR1 (0.61) | — | |
| Iodide SCHEMBL27688321 | 0.91 | SIGMAR1 (0.59) | — | |
| SCHEMBL26085538 | 0.80 | SIGMAR1 (0.38) | — | |
| SCHEMBL18619965 | 0.77 | SIGMAR1 (0.36) | — | |
| SCHEMBL3915786 | 0.70 | SIGMAR1 (0.96) | — | |
| SCHEMBL11297848 | 0.70 | SIGMAR1 (0.61) | — | |
| SCHEMBL24087471 | 0.69 | KAT2B (0.34) | — | |
| SCHEMBL25993039 | 0.69 | SIGMAR1 (0.53) | — |
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-2018081825-A1 | BENZOIMIDAZOL-1, 2-YL AMIDES AS KV7 CHANNEL ACTIVATORS | KNOPP BIOSCIENCES LLC (US) | 2018-05-03 | — | — | WO | disclosed |