⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20052750 | 0.73 | — | — | |
| SCHEMBL24747400 | 0.69 | — | — | |
| SCHEMBL19152031 | 0.69 | — | — | |
| SCHEMBL22856960 | 0.67 | — | — | |
| SCHEMBL24769883 | 0.66 | — | — | |
| SCHEMBL22114536 | 0.64 | — | — | |
| SCHEMBL22871234 | 0.64 | — | — | |
| SCHEMBL22627610 | 0.64 | — | — | |
| SCHEMBL20098840 | 0.63 | — | — | |
| SCHEMBL20099352 | 0.63 | — | — |
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-3953356-B1 | HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE | HOFFMANN LA ROCHE (CH) | 2023-07-26 | — | — | EP | disclosed |