⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4616111 | 0.86 | CYP1A2 (0.34) | — | |
| SCHEMBL9006690 | 0.83 | CYP1A2 (0.31) | — | |
| SCHEMBL29397854 | 0.82 | LMNA (0.36) | — | |
| SCHEMBL10707906 | 0.80 | CYP3A4 (0.31) | — | |
| SCHEMBL11055433 | 0.79 | — | — | |
| SCHEMBL2385481 | 0.77 | — | — | |
| Carbamic Acid SCHEMBL10707146 | 0.76 | CYP3A4 (0.31) | — | |
| SCHEMBL15066450 | 0.76 | CYP1A2 (0.40) | — | |
| Formic Acid SCHEMBL28417895 | 0.76 | CYP3A4 (0.35) | — | |
| SCHEMBL21462929 | 0.74 | CYP1A2 (0.39) | — |
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-2351727-B1 | LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT | AGC SEIMI CHEMICAL CO LTD (JP) | 2014-07-23 | — | — | EP | disclosed |
| US-8283001-B2 | Liquid crystal compound and process for production thereof, liquid crystal composition, and liquid crystal electrooptical element | AGC SEIMI CHEMICAL CO., LTD. (JP) | 2012-10-09 | — | — | US | disclosed |
| US-8273420-B2 | Liquid crystal compound and process for production thereof, liquid crystal composition, and liquid crystal electrooptical element | AGC SEIMI CHEMICAL CO., LTD. (JP) | 2012-09-25 | — | — | US | disclosed |
| US-20120105792-A1 | LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT | AGC SEIMI CHEMICAL CO., LTD. (JP) | 2012-05-03 | — | — | US | disclosed |
| US-20120050661-A1 | LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT | AGC SEIMI CHEMICAL CO., LTD. (JP) | 2012-03-01 | — | — | US | disclosed |
| EP-2351727-A1 | LIQUID CRYSTAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL ELECTROOPTICAL ELEMENT | AGC Seimi Chemical Co., Ltd. (JP) | 2011-08-03 | — | — | EP | disclosed |