⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6734712 | 0.86 | — | — | |
| SCHEMBL6731526 | 0.86 | CYSLTR1 (0.40) | — | |
| SCHEMBL6736134 | 0.86 | CYSLTR1 (0.40) | — | |
| SCHEMBL6723866 | 0.86 | CYSLTR1 (0.40) | — | |
| SCHEMBL12567540 | 0.85 | THRB (0.48) | — | |
| SCHEMBL13090056 | 0.84 | CYSLTR1 (0.40) | — | |
| SCHEMBL6731686 | 0.84 | CYSLTR1 (0.40) | — | |
| SCHEMBL6734717 | 0.84 | CYSLTR1 (0.40) | — | |
| SCHEMBL6729617 | 0.84 | CYSLTR1 (0.40) | — | |
| SCHEMBL6728707 | 0.82 | CYSLTR1 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1154981-B1 | LIQUID CRYSTAL COMPOUNDS | ROLIC AG (CH) | 2004-07-21 | — | — | EP | disclosed |
| US-6676851-B1 | LOW MELTING, GOOD ALIGNMENT ARYL BRANCHED ETHER-ESTER LINKED DIACRYLATES; REMAIN STABLE DURING COATING AND CROSSLINKING | ROLIC AG (CH) | 2004-01-13 | — | — | US | disclosed |