⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31482734 | 0.89 | LMNA (0.33) | — | |
| SCHEMBL4024083 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL1515243 | 0.81 | — | — | |
| SCHEMBL31682369 | 0.81 | MMP2 (0.34) | — | |
| SCHEMBL31682370 | 0.81 | MMP2 (0.31) | — | |
| SCHEMBL4350933 | 0.79 | — | — | |
| SCHEMBL1470194 | 0.75 | — | — | |
| SCHEMBL2531828 | 0.74 | — | — | |
| SCHEMBL477956 | 0.71 | — | — | |
| SCHEMBL15403020 | 0.71 | — | — |
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 |