⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2108089 | 0.60 | — | — | |
| Methane SCHEMBL23044967 | 0.38 | — | — | |
| Charcoal, Activated SCHEMBL5138496 | 0.38 | — | — | |
| SCHEMBL27750356 | 0.38 | — | — | |
| Hydrogen Sulfide SCHEMBL15941638 | 0.38 | — | — | |
| Oxirane SCHEMBL886925 | 0.34 | — | — | |
| SCHEMBL7788092 | 0.27 | — | — | |
| SCHEMBL8425806 | 0.27 | — | — | |
| Iodide SCHEMBL6763842 | 0.27 | — | — | |
| Bromide SCHEMBL6763803 | 0.27 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-10237075-A | — | — | None | — | — | JP | disclosed |
| JP-H10237075-A | LIQUID CRYSTALLINE COMPOUND HAVING NEGATIVE ANISOTROPIC VALUE OF DIELECTRIC CONSTANT, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME LIQUID CRYSTALLINE COMPOUND AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE SAME LIQUID CRYSTAL COMPOSITION | CHISSO CORP | 1998-09-08 | — | — | JP | disclosed |