⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2561552 | 1.00 | — | — | |
| SCHEMBL14744490 | 1.00 | — | — | |
| SCHEMBL1966225 | 0.94 | HPGD (0.45) | — | |
| SCHEMBL1966224 | 0.94 | HPGD (0.45) | — | |
| SCHEMBL1968979 | 0.94 | HPGD (0.45) | — | |
| SCHEMBL1259798 | 0.89 | — | — | |
| SCHEMBL28364585 | 0.82 | HPGD (0.49) | — | |
| SCHEMBL1412263 | 0.80 | HPGD (0.41) | — | |
| SCHEMBL321670 | 0.80 | — | — | |
| SCHEMBL11321648 | 0.80 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2763990-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013030138-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-03-07 | — | — | WO | disclosed |