⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27490981 | 0.86 | TSHR (0.39) | — | |
| SCHEMBL13585188 | 0.81 | TSHR (0.41) | — | |
| SCHEMBL12565645 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL14947430 | 0.78 | — | — | |
| SCHEMBL2954773 | 0.78 | — | — | |
| SCHEMBL468011 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL10799436 | 0.78 | THRB (0.52) | — | |
| Urea SCHEMBL28205654 | 0.78 | THRB (0.52) | — | |
| SCHEMBL2516798 | 0.77 | — | — | |
| SCHEMBL11406930 | 0.77 | TSHR (0.46) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180023001-A1 | COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-01-25 | — | — | US | disclosed |
| CN-107602989-A | A kind of packaging for foodstuff polythene material and preparation method thereof | 董燕琦 | 2018-01-19 | — | — | CN | disclosed |
| US-9217109-B2 | Polymer-stabilised liquid-crystal media and displays | MERCK PATENT GMBH (DE) | 2015-12-22 | — | — | US | disclosed |
| EP-2596082-B1 | POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS | MERCK PATENT GMBH (DE) | 2015-11-04 | — | — | EP | disclosed |
| US-20130119311-A1 | POLYMER-STABILISED LIQUID-CRYSTAL MEDIA AND DISPLAYS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2013-05-16 | — | — | US | disclosed |