⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13360656 | 0.97 | — | — | |
| SCHEMBL14143374 | 0.97 | — | — | |
| SCHEMBL13360653 | 0.87 | — | — | |
| SCHEMBL3569944 | 0.84 | CEL (0.31) | — | |
| SCHEMBL13360661 | 0.83 | OPRL1 (0.34) | — | |
| SCHEMBL13360616 | 0.82 | OPRL1 (0.32) | — | |
| SCHEMBL14232334 | 0.82 | CTSL (0.31) | — | |
| SCHEMBL3572087 | 0.81 | HTR2A (0.31) | — | |
| SCHEMBL12912857 | 0.81 | BCHE (0.37) | — | |
| SCHEMBL13360641 | 0.81 | OPRL1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7718232-B2 | Nematic liquid crystal composition and liquid crystal display element that used the composition | DAINIPPON INK & CHEMICAL, INC. (JP) | 2010-05-18 | — | — | US | disclosed |
| US-20080149889-A1 | Nematic Liquid Crystal Composition and Liquid Crystal Display Element That Used the Composition | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2008-06-26 | — | — | US | disclosed |