⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17925879 | 0.76 | BRD4 (0.48) | — | |
| SCHEMBL846811 | 0.73 | LMNA (0.30) | — | |
| SCHEMBL17926181 | 0.73 | — | — | |
| SCHEMBL19237106 | 0.65 | CYP1A2 (0.31) | — | |
| SCHEMBL19781646 | 0.65 | PDE3B (0.33) | — | |
| SCHEMBL27469585 | 0.64 | — | — | |
| SCHEMBL736375 | 0.63 | — | — | |
| SCHEMBL7996386 | 0.62 | — | — | |
| SCHEMBL8405353 | 0.62 | — | — | |
| SCHEMBL19672429 | 0.62 | — | — |
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 |