⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14749818 | 1.00 | — | — | |
| SCHEMBL4885925 | 1.00 | — | — | |
| SCHEMBL10119789 | 1.00 | — | — | |
| SCHEMBL10110535 | 1.00 | — | — | |
| SCHEMBL16355133 | 0.76 | — | — | |
| SCHEMBL9055528 | 0.74 | — | — | |
| SCHEMBL21325774 | 0.74 | — | — | |
| SCHEMBL22118339 | 0.74 | — | — | |
| SCHEMBL19674836 | 0.74 | — | — | |
| SCHEMBL4965273 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9890167-B2 | Pyrazine compounds for the treatment of infectious diseases | HOFFMANN-LA ROCHE INC. (US) | 2018-02-13 | — | — | US | disclosed |