⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20664284 | 0.85 | — | — | |
| SCHEMBL20664249 | 0.85 | — | — | |
| SCHEMBL20664325 | 0.80 | — | — | |
| SCHEMBL20664295 | 0.79 | — | — | |
| SCHEMBL20664258 | 0.76 | — | — | |
| SCHEMBL13299248 | 0.76 | — | — | |
| SCHEMBL13038190 | 0.75 | — | — | |
| SCHEMBL20664331 | 0.74 | — | — | |
| SCHEMBL20093635 | 0.73 | — | — | |
| SCHEMBL15586855 | 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-2607451-B1 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2019-01-23 | — | — | EP | disclosed |