⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31141183 | 0.79 | SOAT1 (0.44) | — | |
| SCHEMBL8379158 | 0.79 | SOAT1 (0.44) | — | |
| SCHEMBL8379161 | 0.79 | SOAT1 (0.44) | — | |
| SCHEMBL531093 | 0.78 | — | — | |
| SCHEMBL21996121 | 0.78 | CNR2 (0.45) | — | |
| SCHEMBL8318020 | 0.78 | — | — | |
| SCHEMBL4305761 | 0.78 | — | — | |
| SCHEMBL30885100 | 0.78 | SOAT1 (0.43) | — | |
| SCHEMBL27230059 | 0.78 | SOAT1 (0.43) | — | |
| SCHEMBL27211893 | 0.78 | SOAT1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012002501-A1 | LIQUID CRYSTAL ALIGNMENT TREATMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH THE LIQUID CRYSTAL ALIGNMENT FILM | 日産化学工業株式会社 (JP) | 2012-01-05 | — | — | WO | disclosed |