⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3213306 | 0.72 | — | — | |
| SCHEMBL26230557 | 0.72 | FDPS (0.35) | — | |
| SCHEMBL15899588 | 0.72 | — | — | |
| SCHEMBL11435569 | 0.72 | FDPS (0.35) | — | |
| SCHEMBL1776275 | 0.69 | — | — | |
| SCHEMBL248615 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL27540624 | 0.69 | — | — | |
| SCHEMBL335809 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL29251169 | 0.69 | — | — | |
| SCHEMBL6772296 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105339369-A | Pyrazino[1,2-a]indole compounds, their preparation and use in medicaments | ESTEVE LABOR DR | 2016-02-17 | — | — | CN | claimed |
| CN-105339369-A | Pyrazino[1,2-a]indole compounds, their preparation and use in medicaments | ESTEVE LABOR DR | 2016-02-17 | — | — | CN | disclosed |