⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16501550 | 0.75 | CHRM2 (0.37) | — | |
| SCHEMBL9533464 | 0.75 | CHRM2 (0.39) | — | |
| SCHEMBL29350415 | 0.72 | — | — | |
| SCHEMBL11831916 | 0.72 | CHRM2 (0.37) | — | |
| SCHEMBL3032685 | 0.70 | CHRM2 (0.41) | — | |
| SCHEMBL29173088 | 0.69 | — | — | |
| SCHEMBL29314837 | 0.68 | — | — | |
| SCHEMBL20924767 | 0.68 | CHRM2 (0.34) | — | |
| SCHEMBL19708014 | 0.68 | CHRM2 (0.34) | — | |
| SCHEMBL16406437 | 0.68 | CHRM2 (0.31) | — |
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-3231789-A1 | BIOMARKERS FOR DIAGNOSING MULTIPLE SCLEROSIS, AND METHODS THEREOF | Phenomenome Discoveries Inc. (CA) | 2017-10-18 | — | — | EP | disclosed |