⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20179408 | 0.87 | — | — | |
| SCHEMBL20179340 | 0.84 | — | — | |
| SCHEMBL20179396 | 0.79 | — | — | |
| SCHEMBL20179401 | 0.78 | — | — | |
| SCHEMBL20179296 | 0.78 | NR1I2 (0.31) | — | |
| SCHEMBL22765226 | 0.78 | PDE3B (0.33) | — | |
| SCHEMBL20179399 | 0.76 | — | — | |
| SCHEMBL20179397 | 0.75 | ESR2 (0.30) | — | |
| SCHEMBL20165749 | 0.74 | — | — | |
| SCHEMBL20619140 | 0.73 | — | — |
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-3541892-B1 | LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME | MERCK PATENT GMBH (DE) | 2020-10-21 | — | — | EP | disclosed |
| WO-2018091489-A1 | LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME | MERCK PATENT GMBH (DE) | 2018-05-24 | — | — | WO | disclosed |