⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16803179 | 0.99 | — | — | |
| SCHEMBL12698777 | 0.86 | — | — | |
| SCHEMBL17120518 | 0.85 | — | — | |
| SCHEMBL12351464 | 0.85 | — | — | |
| SCHEMBL15810577 | 0.84 | — | — | |
| SCHEMBL18359266 | 0.80 | — | — | |
| SCHEMBL15221197 | 0.77 | — | — | |
| SCHEMBL16789879 | 0.76 | — | — | |
| SCHEMBL16844802 | 0.76 | — | — | |
| SCHEMBL9972370 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2628779-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-05-17 | — | — | EP | disclosed |
| WO-2015090565-A1 | METHOD FOR CLEANING A LIQUID CRYSTAL MIXTURE | MERCK PATENT GMBH (DE) | 2015-06-25 | — | — | WO | disclosed |