⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18863140 | 1.00 | — | — | |
| SCHEMBL17552261 | 0.88 | — | — | |
| SCHEMBL20053846 | 0.88 | — | — | |
| SCHEMBL20053845 | 0.82 | JAK2 (0.54) | — | |
| SCHEMBL17552273 | 0.82 | JAK2 (0.54) | — | |
| SCHEMBL18863130 | 0.81 | JAK2 (0.55) | — | |
| SCHEMBL17552263 | 0.81 | TAAR1 (0.55) | — | |
| SCHEMBL20053857 | 0.81 | TAAR1 (0.55) | — | |
| SCHEMBL18863204 | 0.80 | — | — | |
| SCHEMBL17552311 | 0.80 | — | — |
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 14 patents. 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 | claimed |
| US-9828374-B2 | Substituted pyrazino[2,2-a]isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-11-28 | — | — | US | claimed |
| US-20170145010-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2017-05-25 | — | — | US | claimed |
| US-10316036-B2 | Substituted pyrazino[2,2-a]isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2019-06-11 | — | — | US | disclosed |
| US-10316036-B2 | Substituted pyrazino[2,2-a]isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2019-06-11 | — | — | US | disclosed |
| 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 |
| 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 |
| US-20180037582-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2018-02-08 | — | — | US | disclosed |
| US-20180037582-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2018-02-08 | — | — | US | disclosed |
| US-9828374-B2 | Substituted pyrazino[2,2-a]isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-11-28 | — | — | US | disclosed |
| US-9828374-B2 | Substituted pyrazino[2,2-a]isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2017-11-28 | — | — | US | disclosed |
| US-20170145010-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2017-05-25 | — | — | US | disclosed |
| US-20170145010-A1 | SUBSTITUTED PYRAZINO[2,2-a]ISOQUINOLINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2017-05-25 | — | — | US | disclosed |
| WO-2016030306-A1 | SUBSTITUTED PYRAZINO[2,1-A]ISOQUINOLINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-03-03 | — | — | WO | disclosed |