⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8078844 | 0.92 | — | — | |
| SCHEMBL8081944 | 0.79 | CYSLTR2 (0.31) | — | |
| SCHEMBL8045323 | 0.78 | CYP2C9 (0.34) | — | |
| SCHEMBL7510560 | 0.78 | CYP2C9 (0.34) | — | |
| SCHEMBL11046104 | 0.77 | CYP2C9 (0.33) | — | |
| SCHEMBL2036207 | 0.74 | PDK2 (0.32) | — | |
| SCHEMBL20594617 | 0.73 | CYP2C9 (0.31) | — | |
| SCHEMBL20594539 | 0.73 | CYP2C9 (0.31) | — | |
| SCHEMBL2436427 | 0.69 | CYP2C9 (0.39) | — | |
| SCHEMBL20594335 | 0.67 | MAPT (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0805134-B1 | NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION | CHISSO CORP (JP) | 2000-08-30 | — | — | EP | disclosed |
| EP-0805134-A1 | NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION | CHISSO CORPORATION (JP) | 1997-11-05 | — | — | EP | disclosed |