⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7879977 | 1.00 | — | — | |
| SCHEMBL7930952 | 1.00 | — | — | |
| SCHEMBL9541913 | 1.00 | — | — | |
| SCHEMBL51917 | 0.85 | — | — | |
| SCHEMBL9875285 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL4579507 | 0.78 | — | — | |
| SCHEMBL2349327 | 0.77 | — | — | |
| SCHEMBL14515194 | 0.77 | — | — | |
| SCHEMBL51199 | 0.74 | CYP1A2 (0.35) | — | |
| SCHEMBL17900418 | 0.74 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5380460-A | Ferroelectric liquid crystal compounds containing chiral haloalkoxy tail units and compositions containing them | DISPLAYTECH, INC. (US) | 1995-01-10 | — | — | US | disclosed |