⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16803153 | 0.95 | — | — | |
| SCHEMBL16803161 | 0.90 | — | — | |
| SCHEMBL16803193 | 0.89 | TLR4 (0.32) | — | |
| SCHEMBL16803125 | 0.87 | — | — | |
| SCHEMBL14555062 | 0.86 | EPHX2 (0.32) | — | |
| SCHEMBL14555129 | 0.85 | TLR4 (0.33) | — | |
| SCHEMBL16803149 | 0.85 | EPHX2 (0.31) | — | |
| SCHEMBL16803067 | 0.85 | HTT (0.35) | — | |
| SCHEMBL16803066 | 0.84 | — | — | |
| SCHEMBL16803211 | 0.83 | TLR4 (0.35) | — |
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 |