⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13356710 | 0.88 | — | — | |
| SCHEMBL13356711 | 0.85 | — | — | |
| SCHEMBL14601363 | 0.80 | — | — | |
| SCHEMBL12242667 | 0.78 | CHRNB2 (0.31) | — | |
| SCHEMBL12895584 | 0.78 | CHRNB2 (0.31) | — | |
| SCHEMBL25605997 | 0.78 | CHRM2 (0.33) | — | |
| SCHEMBL13464795 | 0.78 | — | — | |
| SCHEMBL9613648 | 0.78 | — | — | |
| SCHEMBL12807306 | 0.78 | — | — | |
| SCHEMBL13356716 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230340328-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2023-10-26 | — | — | US | disclosed |
| US-20180208848-A1 | LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT | MERCK PATENT GMBH (DE) | 2018-07-26 | — | — | US | disclosed |
| US-20180208848-A1 | LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT | MERCK PATENT GMBH (DE) | 2018-07-26 | — | — | US | disclosed |
| US-7754103-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2010-07-13 | — | — | US | disclosed |
| US-20090194738-A1 | Liquid-crystalline medium | MANABE ATSUTAKA | 2009-08-06 | — | — | US | disclosed |
| EP-1420057-B1 | Liquid crystalline medium | MERCK PATENT GMBH (DE) | 2007-05-16 | — | — | EP | disclosed |
| US-7201951-B2 | Liquid-crystalline medium | MERCK PATENT GMBH (DE) | 2007-04-10 | — | — | US | disclosed |