⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL178276 | 0.79 | — | — | |
| SCHEMBL6139633 | 0.77 | TSHR (0.44) | — | |
| SCHEMBL13447065 | 0.75 | TSHR (0.61) | — | |
| SCHEMBL18828939 | 0.74 | TSHR (0.65) | — | |
| SCHEMBL12332550 | 0.71 | ALDH1A1 (0.58) | — | |
| SCHEMBL8994872 | 0.71 | THRB (0.39) | — | |
| SCHEMBL14471004 | 0.70 | — | — | |
| SCHEMBL891903 | 0.70 | — | — | |
| SCHEMBL18643756 | 0.70 | ALDH1A1 (0.56) | — | |
| SCHEMBL12332555 | 0.70 | ALDH1A1 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1945737-B1 | COPOLYMER FOR LIQUID CRYSTAL ALIGNMENT, LIQUID CRYSTAL ALIGNING LAYER INCLUDING COPOLYMER FOR LIQUID CRYSTAL ALIGNMENT, AND LIQUID CRYSTAL DISPLAY INCLUDING LIQUID CRYSTAL ALIGNING LAYER | LG CHEMICAL LTD (KR) | 2013-03-06 | — | — | EP | disclosed |