⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18213291 | 0.87 | — | — | |
| SCHEMBL15196168 | 0.83 | — | — | |
| SCHEMBL15704372 | 0.82 | — | — | |
| SCHEMBL15827695 | 0.74 | — | — | |
| SCHEMBL15827687 | 0.74 | — | — | |
| SCHEMBL15196133 | 0.72 | — | — | |
| SCHEMBL17546488 | 0.70 | — | — | |
| SCHEMBL15827683 | 0.70 | — | — | |
| SCHEMBL13023697 | 0.69 | TLR4 (0.32) | — | |
| SCHEMBL13368965 | 0.68 | — | — |
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-2457975-A2 | Liquid-crystalline mixtures | Merck Patent GmbH (DE) | 2012-05-30 | — | — | EP | disclosed |