⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16803113 | 0.92 | — | — | |
| SCHEMBL16803217 | 0.91 | — | — | |
| SCHEMBL16803156 | 0.91 | — | — | |
| SCHEMBL14555071 | 0.91 | — | — | |
| SCHEMBL16803118 | 0.91 | TLR4 (0.30) | — | |
| SCHEMBL16803187 | 0.89 | TLR4 (0.37) | — | |
| SCHEMBL16803124 | 0.88 | EPHX2 (0.30) | — | |
| SCHEMBL19884678 | 0.83 | — | — | |
| SCHEMBL16803189 | 0.83 | TLR4 (0.35) | — | |
| SCHEMBL16803112 | 0.83 | — | — |
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-2883934-A1 | Liquid-crystalline medium | Merck Patent GmbH (DE) | 2015-06-17 | — | — | EP | disclosed |