⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9972373 | 1.00 | — | — | |
| SCHEMBL5967770 | 0.97 | — | — | |
| SCHEMBL9926472 | 0.95 | — | — | |
| SCHEMBL13505142 | 0.91 | — | — | |
| SCHEMBL10048541 | 0.91 | EPHX1 (0.31) | — | |
| SCHEMBL13142629 | 0.91 | EPHX1 (0.31) | — | |
| SCHEMBL10022761 | 0.89 | — | — | |
| SCHEMBL12072125 | 0.89 | — | — | |
| SCHEMBL12352229 | 0.89 | — | — | |
| SCHEMBL5966685 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2619284-B1 | LIQUID CRYSTAL DISPLAYS AND LIQUID CRYSTALLINE MEDIA WITH HOMEOTROPIC ALIGNMENT | MERCK PATENT GMBH (DE) | 2017-04-12 | — | — | EP | disclosed |
| EP-2243812-B2 | Liquid crystal display | MERCK PATENT GMBH (DE) | 2016-09-07 | — | — | EP | disclosed |
| EP-3048159-A1 | LIQUID CRYSTAL MEDIUM | Merck Patent GmbH (DE) | 2016-07-27 | — | — | EP | disclosed |
| EP-2985334-A1 | LIQUID-CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2016-02-17 | — | — | EP | disclosed |
| EP-2596034-B1 | POLYMERIZABLE MIXTURES AND THE USE THEREOF IN LIQUID CRYSTAL DISPLAYS | MERCK PATENT GMBH (DE) | 2014-11-26 | — | — | EP | disclosed |