⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17552270 | 1.00 | — | — | |
| SCHEMBL17552268 | 1.00 | — | — | |
| SCHEMBL20053870 | 0.86 | — | — | |
| SCHEMBL20053848 | 0.86 | — | — | |
| SCHEMBL17552293 | 0.86 | — | — | |
| SCHEMBL17552271 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL18863177 | 0.85 | — | — | |
| SCHEMBL17552309 | 0.83 | — | — | |
| SCHEMBL17552245 | 0.83 | — | — | |
| SCHEMBL20053855 | 0.83 | — | — |
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-3186250-B1 | SUBSTITUTED PYRAZINO[2,1-A]ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS | HOFFMANN LA ROCHE (CH) | 2018-04-18 | — | — | EP | disclosed |