⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19865197 | 0.82 | CA1 (0.36) | — | |
| SCHEMBL19865302 | 0.78 | — | — | |
| SCHEMBL19865454 | 0.75 | EPAS1 (0.44) | — | |
| SCHEMBL19865196 | 0.71 | CCR2 (0.33) | — | |
| SCHEMBL19865268 | 0.69 | EPAS1 (0.33) | — | |
| SCHEMBL16555645 | 0.56 | CA1 (0.39) | — | |
| SCHEMBL21779266 | 0.56 | — | — | |
| SCHEMBL21857949 | 0.55 | — | — | |
| SCHEMBL11300485 | 0.54 | CA1 (0.31) | — | |
| SCHEMBL21857880 | 0.53 | — | — |
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-2018031680-A1 | NOVEL COMPOUNDS, USES AND METHODS FOR THEIR PREPARATION | FRONTHERA U.S. PHARMACEUTICALS LLC (US) | 2018-02-15 | — | — | WO | disclosed |