⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2383865 | 0.89 | CYP1A2 (0.32) | — | |
| SCHEMBL17867622 | 0.88 | — | — | |
| SCHEMBL4616111 | 0.81 | CYP1A2 (0.34) | — | |
| SCHEMBL9006690 | 0.79 | CYP1A2 (0.31) | — | |
| SCHEMBL714223 | 0.77 | — | — | |
| Formic Acid SCHEMBL28417895 | 0.75 | CYP3A4 (0.35) | — | |
| SCHEMBL11055433 | 0.75 | — | — | |
| SCHEMBL15066450 | 0.72 | CYP1A2 (0.40) | — | |
| SCHEMBL29397854 | 0.71 | LMNA (0.36) | — | |
| SCHEMBL21462929 | 0.71 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8512598-B2 | Liquid crystal compounds and method for preparing the same | DONGJIN SEMICHEM CO., LTD. (KR) | 2013-08-20 | — | — | US | disclosed |
| US-20110237849-A1 | LIQUID CRYSTAL COMPOUNDS AND METHOD FOR PREPARING THE SAME | Dongjin Semichem Co., Ltd., (KR) | 2011-09-29 | — | — | US | disclosed |
| WO-2010071335-A1 | LIQUID CRYSTAL COMPOUNDS AND METHOD FOR PREPARING THE SAME | DONGJIN SEMICHEM CO., LTD. (KR) | 2010-06-24 | — | — | WO | disclosed |