⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20712708 | 1.00 | — | — | |
| SCHEMBL22731618 | 1.00 | — | — | |
| SCHEMBL14404314 | 0.82 | — | — | |
| SCHEMBL21509830 | 0.78 | — | — | |
| SCHEMBL20705411 | 0.78 | — | — | |
| SCHEMBL15805548 | 0.76 | — | — | |
| SCHEMBL23813567 | 0.72 | — | — | |
| SCHEMBL24862310 | 0.70 | — | — | |
| SCHEMBL24014827 | 0.70 | — | — | |
| SCHEMBL25758296 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10221175-B2 | Substituted pyrrolo[3,4-e]indolizines, imidazo[1,2-a]pyrrolo[3,4-e]pyridines, pyrrolo[3,4-e][1,2,4]triazolo[1,5-a]pyridines and pyrrolo[3,4-e][1,2,4]triazolo[4,3-a]pyridines as positive allosteric modulators of muscarinic acetylcholine receptor M1 | VANDERBILT UNIVERSITY (US) | 2019-03-05 | — | — | US | disclosed |
| US-20180118746-A1 | SUBSTITUTED IMIDAZOPYRIDINE AND TRIAZOLOPYRIDINE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF MUSCARINIC ACETYLCHOLINE RECEPTOR M1 | VANDERBILT UNIVERSITY | 2018-05-03 | — | — | US | disclosed |