⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19161176 | 1.00 | — | — | |
| SCHEMBL2625068 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL19136468 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL19136470 | 0.97 | — | — | |
| SCHEMBL13791447 | 0.84 | — | — | |
| SCHEMBL9844334 | 0.80 | TP53 (0.47) | — | |
| SCHEMBL21934762 | 0.78 | GABRP (0.39) | — | |
| SCHEMBL19161066 | 0.77 | — | — | |
| SCHEMBL2161244 | 0.77 | — | — | |
| SCHEMBL2625063 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018011163-A1 | 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE AND 6,7-DIHYDRO-4H-TRIAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2018-01-18 | — | — | WO | disclosed |