⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9921147 | 1.00 | — | — | |
| SCHEMBL14393110 | 1.00 | — | — | |
| SCHEMBL21342994 | 0.93 | — | — | |
| SCHEMBL8236660 | 0.90 | — | — | |
| SCHEMBL13614804 | 0.88 | — | — | |
| SCHEMBL12386472 | 0.87 | — | — | |
| SCHEMBL13299297 | 0.84 | — | — | |
| SCHEMBL14255167 | 0.83 | — | — | |
| SCHEMBL13464848 | 0.83 | — | — | |
| SCHEMBL13901001 | 0.83 | — | — |
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-3127989-A1 | LIQUID CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2017-02-08 | — | — | EP | disclosed |
| WO-2011107218-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2011-09-09 | — | — | WO | disclosed |