⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8982293 | 1.00 | — | — | |
| SCHEMBL9253031 | 1.00 | — | — | |
| SCHEMBL8982296 | 1.00 | — | — | |
| SCHEMBL19339385 | 1.00 | — | — | |
| SCHEMBL19339466 | 0.98 | — | — | |
| SCHEMBL9252928 | 0.93 | TSHR (0.31) | — | |
| SCHEMBL9252936 | 0.93 | TSHR (0.31) | — | |
| SCHEMBL19339245 | 0.92 | — | — | |
| SCHEMBL19339260 | 0.90 | — | — | |
| SCHEMBL8982407 | 0.90 | TSHR (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5518653-A | LIQUID CRYSTAL | HOFFMANN-LA ROCHE INC. (US) | 1996-05-21 | — | — | US | disclosed |
| US-5454974-A | Halobenzene liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1995-10-03 | — | — | US | disclosed |
| US-5302317-A | Halobenzene liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1994-04-12 | — | — | US | disclosed |
| US-5230826-A | HALOBENZENE LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1993-07-27 | — | — | US | disclosed |
| US-5102578-A | Electrooptics | HOFFMANN-LA ROCHE INC. (US) | 1992-04-07 | — | — | US | disclosed |