⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19262530 | 0.94 | PARP10 (0.33) | — | |
| SCHEMBL20072523 | 0.89 | — | — | |
| SCHEMBL18458613 | 0.87 | — | — | |
| SCHEMBL19803788 | 0.87 | — | — | |
| SCHEMBL17070202 | 0.87 | — | — | |
| SCHEMBL17070276 | 0.86 | — | — | |
| SCHEMBL13561451 | 0.85 | SCN9A (0.31) | — | |
| SCHEMBL14421637 | 0.85 | SCN9A (0.31) | — | |
| SCHEMBL17070280 | 0.85 | — | — | |
| SCHEMBL6402964 | 0.84 | TLR4 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3810724-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2023-11-22 | — | — | EP | disclosed |
| US-11566179-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2023-01-31 | — | — | US | disclosed |
| US-20210277309-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2021-09-09 | — | — | US | disclosed |