⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14407257 | 1.00 | — | — | |
| SCHEMBL17081937 | 0.98 | — | — | |
| SCHEMBL16192922 | 0.98 | — | — | |
| SCHEMBL14143386 | 0.83 | — | — | |
| SCHEMBL15810581 | 0.82 | — | — | |
| SCHEMBL12967911 | 0.82 | — | — | |
| SCHEMBL15372621 | 0.81 | — | — | |
| SCHEMBL9972443 | 0.81 | — | — | |
| SCHEMBL16351952 | 0.81 | — | — | |
| SCHEMBL13299239 | 0.79 | — | — |
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-3246374-A2 | LIQUID-CRYSTAL MEDIUM | Merck Patent GmbH (DE) | 2017-11-22 | — | — | EP | disclosed |
| EP-3246375-A1 | LIQUID CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2017-11-22 | — | — | EP | disclosed |
| EP-3048159-A1 | LIQUID CRYSTAL MEDIUM | Merck Patent GmbH (DE) | 2016-07-27 | — | — | EP | disclosed |
| EP-2542647-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2015-09-16 | — | — | EP | disclosed |