⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14738284 | 0.86 | — | — | |
| SCHEMBL14889592 | 0.81 | — | — | |
| SCHEMBL8010785 | 0.81 | — | — | |
| Acetic Acid SCHEMBL9180059 | 0.78 | BLM (0.57) | — | |
| SCHEMBL6556056 | 0.77 | PAOX (0.44) | — | |
| SCHEMBL36269 | 0.77 | PAOX (0.44) | — | |
| SCHEMBL219402 | 0.77 | — | — | |
| Gamma-Aminobutyric Acid SCHEMBL27786822 | 0.76 | TSHR (0.79) | — | |
| Acetamide SCHEMBL1060168 | 0.76 | — | — | |
| SCHEMBL3105 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763990-B1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-02-22 | — | — | EP | claimed |
| US-8658646-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LAROCHE INC. (US) | 2014-02-25 | — | — | US | claimed |
| US-8658646-B2 | Pyrrolopyrazine kinase inhibitors | HOFFMANN-LAROCHE INC. (US) | 2014-02-25 | — | — | US | disclosed |
| US-20130059834-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN-LA ROCHE INC. | 2013-03-07 | — | — | US | disclosed |