⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7857355 | 0.93 | MAOB (0.31) | — | |
| SCHEMBL4610241 | 0.91 | — | — | |
| SCHEMBL7858250 | 0.91 | — | — | |
| SCHEMBL8818511 | 0.87 | CES2 (0.32) | — | |
| SCHEMBL7850713 | 0.86 | MAOB (0.30) | — | |
| SCHEMBL16133346 | 0.85 | MEN1 (0.32) | — | |
| SCHEMBL9231602 | 0.85 | CES2 (0.35) | — | |
| SCHEMBL8778505 | 0.84 | CES2 (0.31) | — | |
| SCHEMBL7858143 | 0.83 | MAOB (0.31) | — | |
| SCHEMBL5975557 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6254941-B1 | HIGH VOLTAGE HOLDING RATIO; LOW TEMPERATURE | CHISSO CORPORATION (JP) | 2001-07-03 | — | — | US | disclosed |
| EP-0950651-A1 | FLUOROALKYLATED LIQUID-CRYSTAL COMPOUNDS, LIQUID-CRYSTAL COMPOSITIONS, AND LIQUID-CRYSTAL DISPLAY ELEMENTS | CHISSO CORPORATION (JP) | 1999-10-20 | — | — | EP | disclosed |