⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11213292 | 0.78 | — | — | |
| SCHEMBL9013502 | 0.72 | — | — | |
| SCHEMBL9013515 | 0.70 | — | — | |
| SCHEMBL9769112 | 0.67 | — | — | |
| SCHEMBL843402 | 0.65 | — | — | |
| SCHEMBL18382242 | 0.65 | — | — | |
| SCHEMBL28145090 | 0.64 | CALM1 (0.44) | — | |
| Formic Acid SCHEMBL27770735 | 0.64 | CHRNB2 (0.31) | — | |
| SCHEMBL22449191 | 0.62 | IAPP (0.40) | — | |
| SCHEMBL23218438 | 0.62 | PTPN1 (0.31) | — |
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-1432697-A1 | PYRIDYLFURANS AND PYRROLES AS RAF KINASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003022833-A1 | PYRIDYLFURANS AND PYRROLES AS RAF KINASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 2003-03-20 | — | — | WO | disclosed |