⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21609113 | 0.95 | — | — | |
| SCHEMBL21609117 | 0.95 | — | — | |
| SCHEMBL20083495 | 0.92 | KDM1A (0.33) | — | |
| SCHEMBL2741533 | 0.92 | — | — | |
| SCHEMBL20083504 | 0.92 | — | — | |
| SCHEMBL12056081 | 0.92 | — | — | |
| SCHEMBL18486759 | 0.91 | — | — | |
| SCHEMBL21609116 | 0.90 | — | — | |
| SCHEMBL24462198 | 0.87 | — | — | |
| SCHEMBL14274414 | 0.87 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11566179-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2023-01-31 | — | — | US | disclosed |
| WO-2022106387-A1 | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2022-05-27 | — | — | WO | disclosed |
| US-20210277309-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2021-09-09 | — | — | US | disclosed |