⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8518542 | 0.81 | ADRB2 (0.35) | — | |
| SCHEMBL8517770 | 0.73 | ADRB2 (0.32) | — | |
| SCHEMBL8517829 | 0.71 | GABRA1 (0.36) | — | |
| SCHEMBL8517769 | 0.68 | GABRA1 (0.39) | — | |
| SCHEMBL8517468 | 0.68 | CYP2D6 (0.39) | — | |
| SCHEMBL8518534 | 0.65 | LMNA (0.37) | — | |
| SCHEMBL8517500 | 0.63 | ADRB2 (0.39) | — | |
| SCHEMBL8516502 | 0.63 | ADRB2 (0.39) | — | |
| SCHEMBL11395891 | 0.62 | XDH (0.38) | — | |
| SCHEMBL8517467 | 0.61 | LMNA (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0628530-B1 | ACETYLENE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT, AND LIQUID CRYSTAL ELEMENT MADE THEREFROM | SUMITOMO CHEMICAL CO (JP) | 1999-03-24 | — | — | EP | disclosed |
| US-5534188-A | Acetylene derivatives, process for producing the same, liquid crystal composition containing the same as an active ingredient, and liquid crystal element using said liquid crystal composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1996-07-09 | — | — | US | disclosed |
| EP-0628530-A1 | ACETYLENE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT, AND LIQUID CRYSTAL ELEMENT MADE THEREFROM | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1994-12-14 | — | — | EP | disclosed |