⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2018537 | 1.00 | — | — | |
| SCHEMBL6119704 | 0.78 | — | — | |
| SCHEMBL294964 | 0.72 | — | — | |
| Fluoride SCHEMBL27653582 | 0.69 | — | — | |
| SCHEMBL210276 | 0.67 | — | — | |
| SCHEMBL9070710 | 0.67 | — | — | |
| SCHEMBL167103 | 0.67 | — | — | |
| SCHEMBL5998620 | 0.67 | — | — | |
| SCHEMBL11644593 | 0.67 | — | — | |
| SCHEMBL7148459 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6511720-B2 | 1-(triethoxysilane)-4-(4-(4-propylcyclohexyl)phenyl)butane for example; used to produce homeotropic alignment of liquid-crystalline phases on surfaces | MERCK PATENT GESELLESCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2003-01-28 | — | — | US | disclosed |
| US-20020136845-A1 | 1-(triethoxysilane)-4-(4-(4-propylcyclohexyl)phenyl)butane for example; used to produce homeotropic alignment of liquid-crystalline phases on surfaces | PAULUTH DETLEF (DE) | 2002-09-26 | — | — | US | disclosed |
| US-6287650-B1 | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT (DE) | 2001-09-11 | — | — | US | disclosed |