⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25805746 | 0.78 | — | — | |
| SCHEMBL19161116 | 0.78 | — | — | |
| SCHEMBL19993330 | 0.76 | HCAR2 (0.36) | — | |
| SCHEMBL13666048 | 0.75 | — | — | |
| SCHEMBL21577549 | 0.73 | CYP2A6 (0.32) | — | |
| SCHEMBL19316030 | 0.71 | — | — | |
| SCHEMBL29799 | 0.71 | — | — | |
| SCHEMBL19316036 | 0.71 | — | — | |
| SCHEMBL19882296 | 0.70 | — | — | |
| SCHEMBL9436939 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11873438-B2 | Liquid-crystal medium | MERCK PATENT GMBH (DE) | 2024-01-16 | — | — | US | disclosed |
| US-11802243-B2 | Liquid-crystal medium | MERCK PATENT GMBH (DE) | 2023-10-31 | — | — | US | disclosed |
| US-11739265-B2 | Aromatic isothiocyanates | MERCK PATENT GMBH (DE) | 2023-08-29 | — | — | US | disclosed |
| US-20230025385-A1 | FLUORINATED AROMATIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2023-01-26 | — | — | US | disclosed |
| US-11370969-B2 | Liquid-crystal medium | MERCK PATENT GMBH (DE) | 2022-06-28 | — | — | US | disclosed |
| US-20190345389-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2019-11-14 | — | — | US | disclosed |
| EP-3502210-A1 | LIQUID-CRYSTAL MEDIUM | Merck Patent GmbH (DE) | 2019-06-26 | — | — | EP | disclosed |