⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27338700 | 0.79 | — | — | |
| SCHEMBL27765924 | 0.67 | — | — | |
| SCHEMBL28067905 | 0.66 | — | — | |
| SCHEMBL27262100 | 0.66 | — | — | |
| SCHEMBL5009645 | 0.66 | — | — | |
| SCHEMBL28822711 | 0.64 | — | — | |
| SCHEMBL28857821 | 0.63 | — | — | |
| SCHEMBL28019835 | 0.63 | PTGS2 (0.32) | — | |
| SCHEMBL27758791 | 0.62 | — | — | |
| SCHEMBL28199369 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105969405-A | Liquid crystal aligning agent for forming liquid crystal alignment film, liquid crystal alignment film and liquid crystal display device using the same | 捷恩智株式会社 | 2016-09-28 | — | — | CN | disclosed |