⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7772125 | 1.00 | — | — | |
| SCHEMBL7772124 | 1.00 | — | — | |
| SCHEMBL8849650 | 1.00 | — | — | |
| SCHEMBL7746207 | 0.86 | — | — | |
| SCHEMBL8411592 | 0.86 | — | — | |
| SCHEMBL7746208 | 0.86 | — | — | |
| SCHEMBL8671526 | 0.86 | — | — | |
| SCHEMBL7746213 | 0.86 | — | — | |
| SCHEMBL7746206 | 0.86 | — | — | |
| SCHEMBL8411591 | 0.86 | — | — |
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 |