⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20113158 | 0.84 | P2RX7 (0.34) | — | |
| SCHEMBL12433418 | 0.72 | ACHE (0.31) | — | |
| SCHEMBL13003913 | 0.69 | P2RX7 (0.31) | — | |
| SCHEMBL12960402 | 0.67 | GABRA1 (0.33) | — | |
| SCHEMBL6126230 | 0.66 | CTSS (0.41) | — | |
| SCHEMBL17229308 | 0.64 | CXCR5 (0.32) | — | |
| SCHEMBL19445939 | 0.64 | — | — | |
| SCHEMBL15133727 | 0.63 | P2RX7 (0.34) | — | |
| SCHEMBL12511997 | 0.62 | CYP1A2 (0.33) | — | |
| SCHEMBL489837 | 0.62 | P2RX7 (0.36) | — |
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-3526308-B1 | LIQUID-CRYSTALLINE MEDIUM, LIQUID CRYSTAL COMPOUND AND LIQUID-CRYSTAL DISPLAY DEVICE COMPRISING THE SAME | MERCK PATENT GMBH (DE) | 2021-05-19 | — | — | EP | disclosed |