⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9646222 | 1.00 | — | — | |
| SCHEMBL9648680 | 1.00 | — | — | |
| SCHEMBL9646470 | 1.00 | — | — | |
| SCHEMBL9646473 | 1.00 | — | — | |
| SCHEMBL9757907 | 1.00 | — | — | |
| SCHEMBL9646683 | 1.00 | — | — | |
| SCHEMBL9646209 | 1.00 | — | — | |
| SCHEMBL9757912 | 1.00 | — | — | |
| SCHEMBL9758330 | 1.00 | — | — | |
| SCHEMBL9646694 | 1.00 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0107759-B1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS COMPONENTS FOR LIQUID CRYSTALS | MERCK PATENT GmbH (DE) | 1992-12-16 | — | — | EP | disclosed |
| US-5108652-A | Liquid crystal dielectrics | Merck patent Gesellschaft mit beschrankter Haftung Darmstadt (DE) | 1992-04-28 | — | — | US | disclosed |
| US-4986931-A | Cyclohexane derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-01-22 | — | — | US | disclosed |
| US-4510069-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-04-09 | — | — | US | disclosed |
| EP-0107759-A2 | Cyclohexane derivatives and their use as components for liquid crystals | MERCK PATENT GmbH (DE) | 1984-05-09 | — | — | EP | disclosed |