⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17733624 | 1.00 | — | — | |
| SCHEMBL15343469 | 0.81 | — | — | |
| SCHEMBL16508929 | 0.81 | — | — | |
| SCHEMBL14934222 | 0.78 | — | — | |
| SCHEMBL13992536 | 0.77 | — | — | |
| SCHEMBL21374338 | 0.74 | — | — | |
| SCHEMBL23491284 | 0.74 | — | — | |
| SCHEMBL22416032 | 0.74 | — | — | |
| SCHEMBL22639543 | 0.71 | — | — | |
| SCHEMBL12425502 | 0.71 | — | — |
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-3877484-B1 | LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY COMPRISING THE SAME | MERCK PATENT GMBH (DE) | 2023-09-13 | — | — | EP | disclosed |
| EP-3733816-A1 | ISOTHIOCYANATO-TOLANES | Merck Patent GmbH (DE) | 2020-11-04 | — | — | EP | disclosed |
| EP-3504293-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2020-05-13 | — | — | EP | disclosed |
| WO-2019242095-A1 | LIQUID CRYSTAL COMPOUND CONTAINING A DIFLUOROMETHOXY BRIDGE BOND AND PREPARATION METHOD AND APPLICATION THEREOF | 烟台显华化工科技有限公司 | 2019-12-26 | — | — | WO | disclosed |
| US-9458381-B2 | Liquid crystal compounds containing deuterium | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) | 2016-10-04 | — | — | US | disclosed |
| US-20140312275-A1 | LIQUID CRYSTAL COMPOUNDS CONTAINING DEUTERIUM | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) | 2014-10-23 | — | — | US | disclosed |