⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17552262 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL18863219 | 0.99 | — | — | |
| SCHEMBL20053846 | 0.84 | — | — | |
| SCHEMBL17552261 | 0.84 | — | — | |
| SCHEMBL18863198 | 0.81 | MDM2 (0.35) | — | |
| SCHEMBL17552247 | 0.72 | — | — | |
| SCHEMBL18863140 | 0.72 | — | — | |
| SCHEMBL18863252 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL18863225 | 0.71 | — | — | |
| SCHEMBL18863130 | 0.69 | JAK2 (0.55) | — |
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 |