⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24840429 | 0.64 | CA2 (0.33) | — | |
| SCHEMBL19035891 | 0.64 | — | — | |
| SCHEMBL23969847 | 0.63 | — | — | |
| SCHEMBL25132409 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL22756739 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL23613122 | 0.61 | — | — | |
| SCHEMBL27464399 | 0.61 | — | — | |
| SCHEMBL4447624 | 0.61 | — | — | |
| SCHEMBL24880110 | 0.61 | — | — | |
| SCHEMBL18615767 | 0.61 | — | — |
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-10654847-B2 | Substituted 2-(4-heterocyclylbenzyl)isoindolin-1-one analogs as positive allosteric modulators of the muscarinic acetylcholine receptor M1 | VANDERBILT UNIVERSITY (US) | 2020-05-19 | — | — | US | disclosed |
| US-20180179205-A1 | SUBSTITUTED 2-(4-HETEROCYCLYLBENZYL)ISOINDOLIN-1-ONE ANALOGS AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 | VANDERBILT UNIVERSITY | 2018-06-28 | — | — | US | disclosed |