⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12890359 | 0.74 | — | — | |
| SCHEMBL20711724 | 0.70 | — | — | |
| SCHEMBL23054421 | 0.67 | — | — | |
| SCHEMBL22489421 | 0.67 | — | — | |
| SCHEMBL23750318 | 0.67 | — | — | |
| SCHEMBL24536027 | 0.67 | — | — | |
| SCHEMBL12403216 | 0.67 | — | — | |
| SCHEMBL8017416 | 0.67 | — | — | |
| SCHEMBL21423809 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL12040654 | 0.64 | HRH3 (0.32) | — |
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-3321257-A1 | SUBSTITUTED 5-AMINOTHIENO[2,3-C]PYRIDAZINE-6-CARBOXAMIDE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 | Vanderbilt University (US) | 2018-05-16 | — | — | EP | disclosed |