⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1190411 | 1.00 | — | — | |
| SCHEMBL1189863 | 1.00 | — | — | |
| SCHEMBL1190360 | 1.00 | — | — | |
| SCHEMBL1399526 | 1.00 | — | — | |
| SCHEMBL1190407 | 1.00 | — | — | |
| SCHEMBL24755544 | 1.00 | — | — | |
| SCHEMBL1190409 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL25307006 | 0.97 | SIGMAR1 (0.39) | — | |
| Bromide SCHEMBL23013281 | 0.97 | SIGMAR1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL3326765 | 0.97 | SIGMAR1 (0.39) | — |
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-3253752-B1 | [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 (US) | 2023-08-16 | — | — | EP | disclosed |