⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27955555 | 0.81 | — | — | |
| SCHEMBL598768 | 0.78 | TSHR (0.44) | — | |
| SCHEMBL22027595 | 0.78 | TSHR (0.44) | — | |
| SCHEMBL8812958 | 0.78 | — | — | |
| SCHEMBL11284637 | 0.77 | OPRM1 (0.46) | — | |
| SCHEMBL27552302 | 0.75 | — | — | |
| SCHEMBL276746 | 0.75 | — | — | |
| SCHEMBL12555401 | 0.73 | METAP1 (0.33) | — | |
| SCHEMBL13853470 | 0.73 | METAP1 (0.33) | — | |
| SCHEMBL23373488 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103820129-B | Aligning agent for liquid crystal, liquid crystal orientation film and forming method thereof, the phase retardation film of liquid crystal display cells and liquid crystal cells | JSR株式会社 | 2016-09-21 | — | — | CN | disclosed |
| CN-103820129-A | Liquid crystal aligning agent, liquid crystal alignment film and method for forming the same, phase difference film of liquid crystal display element, and liquid crystal unit | JSR CORP | 2014-05-28 | — | — | CN | disclosed |
| CN-103805214-A | Liquid crystal aligning agent, liquid crystal alignment film, and retardation film and liquid crystal cell of liquid crystal display device | JSR CORP | 2014-05-21 | — | — | CN | disclosed |