⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13671196 | 0.83 | — | — | |
| SCHEMBL12328144 | 0.79 | — | — | |
| SCHEMBL9613651 | 0.79 | — | — | |
| SCHEMBL15810575 | 0.79 | — | — | |
| SCHEMBL20428184 | 0.79 | — | — | |
| SCHEMBL883744 | 0.79 | — | — | |
| SCHEMBL21603613 | 0.79 | — | — | |
| SCHEMBL20842593 | 0.76 | — | — | |
| SCHEMBL14342128 | 0.75 | — | — | |
| SCHEMBL9613624 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1436358-B1 | LIQUID CRYSTAL COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-12-19 | — | — | EP | disclosed |