⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19993445 | 0.91 | — | — | |
| SCHEMBL22621129 | 0.83 | DYRK1A (0.30) | — | |
| SCHEMBL19993443 | 0.70 | KDM4E (0.31) | — | |
| SCHEMBL19993340 | 0.66 | AR (0.32) | — | |
| SCHEMBL13807442 | 0.65 | TSHR (0.43) | — | |
| SCHEMBL7167167 | 0.65 | ESR2 (0.50) | — | |
| SCHEMBL19993339 | 0.65 | SNCA (0.35) | — | |
| SCHEMBL19993384 | 0.64 | CYP19A1 (0.33) | — | |
| SCHEMBL9297155 | 0.62 | AR (0.46) | — | |
| SCHEMBL22621241 | 0.62 | — | — |
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-2018050573-A1 | LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE | MERCK PATENT GMBH (DE) | 2018-03-22 | — | — | WO | disclosed |