⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18512701 | 0.84 | — | — | |
| SCHEMBL20749321 | 0.83 | CHRM2 (0.35) | — | |
| SCHEMBL20209644 | 0.80 | — | — | |
| SCHEMBL21850709 | 0.78 | ESR2 (0.30) | — | |
| SCHEMBL12917850 | 0.78 | — | — | |
| SCHEMBL10314525 | 0.77 | — | — | |
| SCHEMBL18688130 | 0.77 | — | — | |
| SCHEMBL10706566 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL14520679 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL10486216 | 0.76 | ALDH1A1 (0.36) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230068853-A1 | LIQUID CRYSTAL MIXTURE AND LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2023-03-02 | — | — | US | disclosed |
| US-11168257-B2 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2021-11-09 | — | — | US | disclosed |
| US-10465115-B2 | Cinnamic acid derivatives | MERCK PATENT GMBH (DE) | 2019-11-05 | — | — | US | disclosed |
| US-20190153320-A1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2019-05-23 | — | — | US | disclosed |
| US-9701904-B2 | Optically isotropic liquid crystal medium and optical device | JNC CORPORATION (JP) | 2017-07-11 | — | — | US | disclosed |
| WO-2011107218-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2011-09-09 | — | — | WO | disclosed |
| EP-1331259-B1 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2011-04-13 | — | — | EP | disclosed |
| EP-1956069-A1 | Liquid crystalline medium | Merck Patent GmbH (DE) | 2008-08-13 | — | — | EP | disclosed |