⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14527849 | 0.83 | MAPT (0.30) | — | |
| SCHEMBL15196165 | 0.73 | — | — | |
| SCHEMBL18854219 | 0.72 | MAPT (0.35) | — | |
| SCHEMBL13352052 | 0.71 | — | — | |
| SCHEMBL15196183 | 0.71 | — | — | |
| SCHEMBL16844795 | 0.71 | — | — | |
| SCHEMBL15128246 | 0.68 | — | — | |
| SCHEMBL18258057 | 0.68 | — | — | |
| SCHEMBL17110057 | 0.67 | MAPT (0.38) | — | |
| SCHEMBL12075661 | 0.65 | — | — |
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-2598604-B1 | LIQUID CRYSTAL MEDIUM CONTAINING THIOPHENE DERIVATIVES | MERCK PATENT GMBH (DE) | 2015-11-25 | — | — | EP | disclosed |
| EP-2399972-B1 | LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY HAVING HIGH TWIST | MERCK PATENT GMBH (DE) | 2015-11-25 | — | — | EP | disclosed |