⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL883390 | 0.88 | — | — | |
| SCHEMBL13671195 | 0.87 | — | — | |
| SCHEMBL14465338 | 0.83 | — | — | |
| SCHEMBL13068649 | 0.83 | — | — | |
| SCHEMBL883391 | 0.83 | — | — | |
| SCHEMBL883409 | 0.81 | — | — | |
| SCHEMBL18476122 | 0.80 | — | — | |
| SCHEMBL12031859 | 0.79 | — | — | |
| SCHEMBL13671608 | 0.78 | — | — | |
| SCHEMBL10039799 | 0.76 | — | — |
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-3127989-A1 | LIQUID CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2017-02-08 | — | — | EP | disclosed |
| WO-2014183825-A1 | LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DEVICE | MERCK PATENT GMBH (DE) | 2014-11-20 | — | — | WO | disclosed |