⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16071700 | 1.00 | — | — | |
| SCHEMBL17120513 | 0.98 | TLR4 (0.31) | — | |
| SCHEMBL10016650 | 0.98 | TLR4 (0.31) | — | |
| SCHEMBL17621178 | 0.98 | — | — | |
| SCHEMBL16072160 | 0.91 | — | — | |
| SCHEMBL16071940 | 0.91 | — | — | |
| SCHEMBL16071977 | 0.91 | — | — | |
| SCHEMBL17620928 | 0.91 | TLR4 (0.33) | — | |
| SCHEMBL16072137 | 0.88 | CYP1A2 (0.36) | — | |
| SCHEMBL16072369 | 0.88 | CYP1A2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170044438-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-02-16 | — | — | US | disclosed |
| US-20170002267-A1 | Liquid Crystal Medium | MERCK PATENT GMBH (DE) | 2017-01-05 | — | — | US | disclosed |
| US-20160083653-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME AND LIQUID CRYSTAL DISPLAY INCLUDING THE LIQUID CRYSTAL COMPOSITION | SAMSUNG DISPLAY CO., LTD. (KR) | 2016-03-24 | — | — | US | disclosed |