⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15220782 | 0.77 | — | — | |
| SCHEMBL10022135 | 0.77 | — | — | |
| SCHEMBL10022128 | 0.77 | — | — | |
| SCHEMBL10022133 | 0.76 | — | — | |
| SCHEMBL10022134 | 0.73 | — | — | |
| SCHEMBL13586497 | 0.72 | OPRL1 (0.30) | — | |
| SCHEMBL13828074 | 0.72 | — | — | |
| SCHEMBL10022122 | 0.71 | — | — | |
| SCHEMBL3569944 | 0.70 | CEL (0.31) | — | |
| SCHEMBL12262107 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012053421-A1 | CYCLOHEXENE-3,6-DIYL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC株式会社 (JP) | 2012-04-26 | — | — | WO | disclosed |