⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22355782 | 1.00 | — | — | |
| SCHEMBL22355826 | 1.00 | — | — | |
| SCHEMBL27500348 | 0.82 | TP53 (0.30) | — | |
| SCHEMBL27536530 | 0.82 | TP53 (0.30) | — | |
| SCHEMBL19680499 | 0.80 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL26332402 | 0.78 | CHRNB2 (0.32) | — | |
| SCHEMBL26332456 | 0.78 | CHRNB2 (0.32) | — | |
| SCHEMBL18125942 | 0.76 | TP53 (0.40) | — | |
| SCHEMBL3715388 | 0.76 | TP53 (0.40) | — | |
| SCHEMBL3713869 | 0.76 | TP53 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200262834-A1 | [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES, INC. | 2020-08-20 | — | — | US | disclosed |