⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14941252 | 0.77 | — | — | |
| SCHEMBL670069 | 0.68 | — | — | |
| SCHEMBL19057072 | 0.42 | — | — | |
| SCHEMBL17310405 | 0.41 | — | — | |
| SCHEMBL10066089 | 0.36 | — | — | |
| SCHEMBL1168007 | 0.34 | GPR3 (0.42) | — | |
| SCHEMBL10036543 | 0.31 | — | — | |
| SCHEMBL329462 | 0.29 | — | — | |
| Cyclopropane SCHEMBL11096431 | 0.29 | — | — | |
| Benzoquinone SCHEMBL11031539 | 0.28 | ALDH1A1 (0.80) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3174955-A1 | LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT | Merck Patent GmbH (DE) | 2017-06-07 | — | — | EP | claimed |
| WO-2016015803-A1 | LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT | MERCK PATENT GMBH (DE) | 2016-02-04 | — | — | WO | claimed |
| EP-2619284-A1 | LIQUID CRYSTAL DISPLAYS AND LIQUID CRYSTALLINE MEDIA WITH HOMEOTROPIC ALIGNMENT | Merck Patent GmbH (DE) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012038026-A1 | LIQUID CRYSTAL DISPLAYS AND LIQUID CRYSTALLINE MEDIA WITH HOMEOTROPIC ALIGNMENT | MERCK PATENT GMBH (DE) | 2012-03-29 | — | — | WO | disclosed |