⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9842780 | 0.79 | — | — | |
| SCHEMBL8517203 | 0.77 | CA1 (0.33) | — | |
| SCHEMBL28904475 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL28617193 | 0.76 | — | — | |
| SCHEMBL28767718 | 0.75 | CYP1A2 (0.40) | — | |
| SCHEMBL27678265 | 0.73 | CYP1A2 (0.39) | — | |
| SCHEMBL27833793 | 0.73 | — | — | |
| SCHEMBL29271954 | 0.73 | TRPA1 (0.44) | — | |
| SCHEMBL28917542 | 0.72 | ACHE (0.31) | — | |
| SCHEMBL8376704 | 0.72 | PIN1 (0.33) | — |
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-0355314-B1 | Ferroelectric chiral smectic liquid crystal composition and liquid crystal device using same | CANON KK (JP) | 1994-08-31 | — | — | EP | disclosed |