⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23240318 | 0.89 | — | — | |
| SCHEMBL22137709 | 0.83 | — | — | |
| SCHEMBL19882280 | 0.83 | — | — | |
| SCHEMBL19262458 | 0.80 | HTR1D (0.31) | — | |
| SCHEMBL22508506 | 0.77 | — | — | |
| SCHEMBL12976105 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL19160904 | 0.74 | HTR1D (0.39) | — | |
| SCHEMBL12706501 | 0.72 | — | — | |
| SCHEMBL18137123 | 0.71 | — | — | |
| SCHEMBL18084735 | 0.71 | HTR1D (0.37) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3628721-B1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2023-03-01 | — | — | EP | disclosed |
| EP-3940040-A1 | LIQUID-CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2022-01-19 | — | — | EP | disclosed |
| EP-3599266-B1 | LIQUID-CRYSTAL LENS | MERCK PATENT GMBH (DE) | 2021-05-12 | — | — | EP | disclosed |
| EP-3502210-B1 | LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2020-09-09 | — | — | EP | disclosed |
| EP-3599266-A1 | LIQUID-CRYSTAL LENS | Merck Patent GmbH (DE) | 2020-01-29 | — | — | EP | disclosed |
| EP-3502210-A1 | LIQUID-CRYSTAL MEDIUM | Merck Patent GmbH (DE) | 2019-06-26 | — | — | EP | disclosed |