⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9979921 | 0.92 | — | — | |
| SCHEMBL18510865 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL10486208 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL10706566 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL7513835 | 0.76 | — | — | |
| SCHEMBL10486216 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL14520679 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL16707076 | 0.76 | — | — | |
| SCHEMBL16351950 | 0.76 | — | — | |
| SCHEMBL172369 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9862887-B2 | Liquid crystal medium and liquid crystal display | MERCK PATENT GMBH (DE) | 2018-01-09 | — | — | US | disclosed |
| US-20150129800-A1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2015-05-14 | — | — | US | disclosed |
| US-7385067-B2 | Process for the preparation of compounds having a CF2O bridge | MERCK PATENT GMBH (DE) | 2008-06-10 | — | — | US | disclosed |