⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5968011 | 1.00 | — | — | |
| SCHEMBL883405 | 1.00 | — | — | |
| SCHEMBL17690783 | 1.00 | — | — | |
| SCHEMBL17693864 | 1.00 | — | — | |
| SCHEMBL433619 | 0.90 | — | — | |
| SCHEMBL49052 | 0.90 | — | — | |
| SCHEMBL4456250 | 0.90 | — | — | |
| SCHEMBL22133152 | 0.87 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL1076485 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL20530704 | 0.87 | — | — |
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-2014183825-A1 | LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DEVICE | MERCK PATENT GMBH (DE) | 2014-11-20 | — | — | WO | disclosed |