⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20861995 | 0.82 | ALOX15 (0.32) | — | |
| SCHEMBL5801343 | 0.77 | — | — | |
| SCHEMBL20861987 | 0.74 | — | — | |
| SCHEMBL5800835 | 0.73 | — | — | |
| SCHEMBL2741546 | 0.73 | CYP11B1 (0.34) | — | |
| SCHEMBL12929135 | 0.73 | CYP11B1 (0.34) | — | |
| SCHEMBL13218909 | 0.72 | LPL (0.36) | — | |
| SCHEMBL14240859 | 0.72 | — | — | |
| SCHEMBL14328302 | 0.72 | RAPGEF4 (0.34) | — | |
| SCHEMBL18324944 | 0.71 | — | — |
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-2006053628-A1 | LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2006-05-26 | — | — | WO | disclosed |