⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14738137 | 0.76 | — | — | |
| SCHEMBL14738425 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL14738015 | 0.70 | BACE1 (0.31) | — | |
| SCHEMBL14738346 | 0.70 | — | — | |
| SCHEMBL1097061 | 0.67 | — | — | |
| SCHEMBL28358722 | 0.66 | KDM4E (0.42) | — | |
| SCHEMBL8804636 | 0.65 | — | — | |
| SCHEMBL4033342 | 0.61 | CD44 (0.34) | — | |
| SCHEMBL8846522 | 0.60 | — | — | |
| SCHEMBL1465848 | 0.59 | — | — |
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-20130059834-A1 | PYRROLOPYRAZINE KINASE INHIBITORS | HOFFMANN-LA ROCHE INC. | 2013-03-07 | — | — | US | disclosed |