⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9626023 | 1.00 | — | — | |
| SCHEMBL9626020 | 1.00 | — | — | |
| SCHEMBL9625294 | 0.89 | TLR4 (0.35) | — | |
| SCHEMBL9625297 | 0.89 | TLR4 (0.35) | — | |
| SCHEMBL9625291 | 0.89 | TLR4 (0.35) | — | |
| SCHEMBL9626082 | 0.86 | CYP1A2 (0.42) | — | |
| SCHEMBL9626083 | 0.86 | CYP1A2 (0.42) | — | |
| SCHEMBL9626084 | 0.86 | CYP1A2 (0.42) | — | |
| SCHEMBL9626133 | 0.85 | — | — | |
| SCHEMBL9626136 | 0.85 | — | — |
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-0325796-B1 | A LIQUID CRYSTAL COMPOUND AND A MIXTURE CONTAINING THE SAME | Chisso Corporation (JP) | 1992-03-11 | — | — | EP | disclosed |
| US-4877548-A | STABLE TO HEAT, LIGHT, ELECTRICITY AND MOISTURE | CHISSO CORPORATION (JP) | 1989-10-31 | — | — | US | disclosed |
| EP-0325796-A1 | A liquid crystal compound and a mixture containing the same | Chisso Corporation (JP) | 1989-08-02 | — | — | EP | disclosed |