⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26145553 | 0.80 | — | — | |
| SCHEMBL29382337 | 0.72 | — | — | |
| SCHEMBL9784696 | 0.72 | NOS3 (0.56) | — | |
| SCHEMBL7487 | 0.72 | — | — | |
| SCHEMBL19628963 | 0.72 | CCR1 (0.35) | — | |
| SCHEMBL19424090 | 0.72 | CCR1 (0.35) | — | |
| SCHEMBL29735919 | 0.70 | NOS3 (0.54) | — | |
| Iodide SCHEMBL11070567 | 0.70 | NOS3 (0.54) | — | |
| Hydrochloric Acid SCHEMBL1936573 | 0.70 | NOS3 (0.54) | — | |
| Hydrogen Sulfide SCHEMBL5051770 | 0.70 | NOS3 (0.54) | — |
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-2855630-B1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2017-12-20 | — | — | EP | disclosed |