⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19311635 | 0.87 | — | — | |
| SCHEMBL15981292 | 0.85 | — | — | |
| SCHEMBL13299264 | 0.85 | — | — | |
| SCHEMBL15292006 | 0.81 | — | — | |
| SCHEMBL13299248 | 0.80 | — | — | |
| SCHEMBL15586855 | 0.80 | — | — | |
| SCHEMBL19311578 | 0.75 | — | — | |
| SCHEMBL16362197 | 0.73 | — | — | |
| SCHEMBL12769135 | 0.73 | — | — | |
| SCHEMBL20152484 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2918658-A2 | Liquid crystalline media with homeotropic alignment | Merck Patent GmbH (DE) | 2015-09-16 | — | — | EP | disclosed |