⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13666048 | 0.77 | — | — | |
| SCHEMBL19660873 | 0.77 | — | — | |
| SCHEMBL21577549 | 0.75 | CYP2A6 (0.32) | — | |
| SCHEMBL19316036 | 0.73 | — | — | |
| SCHEMBL19316030 | 0.73 | — | — | |
| SCHEMBL29799 | 0.73 | — | — | |
| SCHEMBL21115686 | 0.70 | — | — | |
| SCHEMBL9436939 | 0.69 | — | — | |
| SCHEMBL24390787 | 0.68 | — | — | |
| SCHEMBL14627431 | 0.62 | — | — |
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-2881383-B1 | Mixing device and its use | MERCK PATENT GMBH (DE) | 2020-06-24 | — | — | EP | disclosed |
| EP-3083883-B1 | METHOD FOR CLEANING A LIQUID CRYSTAL MIXTURE | MERCK PATENT GMBH (DE) | 2018-07-11 | — | — | EP | disclosed |
| EP-3083408-B1 | FILLING DEVICE AND USE THEREOF FOR FILLING A FLUID | MERCK PATENT GMBH (DE) | 2018-02-21 | — | — | EP | disclosed |