⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19518262 | 0.84 | — | — | |
| SCHEMBL9775780 | 0.71 | — | — | |
| SCHEMBL10250303 | 0.70 | — | — | |
| SCHEMBL9851264 | 0.67 | — | — | |
| SCHEMBL24061655 | 0.67 | — | — | |
| SCHEMBL14076040 | 0.67 | — | — | |
| SCHEMBL2264540 | 0.66 | — | — | |
| SCHEMBL7073707 | 0.62 | — | — | |
| SCHEMBL7792894 | 0.61 | — | — | |
| SCHEMBL1520907 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3394061-A1 | 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | Merck Sharp & Dohme Corp. (US) | 2018-10-31 | — | — | EP | disclosed |
| WO-2017112719-A1 | 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2017-06-29 | — | — | WO | disclosed |
| EP-0429372-A1 | 2-Azolyl nicotinate derivatives as herbicides | RHONE-POULENC AGROCHIMIE (FR) | 1991-05-29 | — | — | EP | disclosed |