⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7772105 | 1.00 | — | — | |
| SCHEMBL19175746 | 0.88 | — | — | |
| SCHEMBL31378078 | 0.81 | — | — | |
| SCHEMBL18472275 | 0.81 | — | — | |
| SCHEMBL31378079 | 0.81 | TLR4 (0.37) | — | |
| SCHEMBL9056664 | 0.81 | CYP1A2 (0.34) | — | |
| SCHEMBL9056655 | 0.81 | CYP1A2 (0.34) | — | |
| SCHEMBL20342949 | 0.81 | — | — | |
| SCHEMBL9056666 | 0.81 | CYP1A2 (0.34) | — | |
| SCHEMBL7912011 | 0.81 | TLR4 (0.37) | — |
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-0747336-B1 | Alkenyl cyclohexane derivatives and liquid crystal compositions | CHISSO CORP (JP) | 2001-07-25 | — | — | EP | disclosed |
| US-5709820-A | MIXTURES | CHISSO CORPORATION (JP) | 1998-01-20 | — | — | US | disclosed |
| EP-0747336-A1 | Alkenyl cyclohexane derivatives and liquid crystal compositions | Chisso Corporation (JP) | 1996-12-11 | — | — | EP | disclosed |