⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19853848 | 0.92 | FPR2 (0.33) | — | |
| SCHEMBL19855074 | 0.92 | FPR2 (0.33) | — | |
| SCHEMBL23635495 | 0.90 | — | — | |
| SCHEMBL19855089 | 0.84 | ESR2 (0.32) | — | |
| SCHEMBL20322671 | 0.84 | ESR2 (0.32) | — | |
| SCHEMBL19855086 | 0.84 | CYP2C9 (0.36) | — | |
| SCHEMBL19853843 | 0.84 | CYP2C9 (0.36) | — | |
| SCHEMBL19853858 | 0.83 | PTPN11 (0.37) | — | |
| SCHEMBL20407591 | 0.82 | RAB9A (0.33) | — | |
| SCHEMBL19855372 | 0.81 | FFAR4 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3351525-A1 | POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC Corporation (JP) | 2018-07-25 | — | — | EP | disclosed |