⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20018104 | 0.65 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL10268848 | 0.62 | — | — | |
| SCHEMBL11933762 | 0.61 | MASP2 (0.34) | — | |
| SCHEMBL17149437 | 0.60 | ALDH1A1 (0.39) | — | |
| SCHEMBL13896674 | 0.59 | — | — | |
| SCHEMBL12344977 | 0.58 | ALDH1A1 (0.41) | — | |
| SCHEMBL15762046 | 0.58 | MAOA (0.37) | — | |
| SCHEMBL17149441 | 0.57 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL15026717 | 0.57 | FAAH (0.35) | — | |
| SCHEMBL17624570 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3288936-B1 | BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2020-05-06 | — | — | EP | disclosed |