⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23543231 | 0.97 | — | — | |
| SCHEMBL24158158 | 0.90 | — | — | |
| SCHEMBL16923823 | 0.88 | — | — | |
| SCHEMBL27027406 | 0.87 | — | — | |
| SCHEMBL12855273 | 0.86 | — | — | |
| SCHEMBL23543245 | 0.84 | — | — | |
| SCHEMBL23543232 | 0.83 | — | — | |
| SCHEMBL23543262 | 0.82 | CCR1 (0.30) | — | |
| SCHEMBL26544412 | 0.80 | — | — | |
| SCHEMBL24157870 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4400561-A1 | LIQUID-CRYSTAL MEDIUM | Merck Patent GmbH (DE) | 2024-07-17 | — | — | EP | disclosed |
| EP-4261268-A1 | LIQUID CRYSTAL MEDIUM | Merck Patent GmbH (DE) | 2023-10-18 | — | — | EP | disclosed |
| EP-4261267-A1 | LIQUID-CRYSTAL MEDIUM | Merck Patent GmbH (DE) | 2023-10-18 | — | — | EP | disclosed |