⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16378275 | 0.82 | — | — | |
| SCHEMBL14555142 | 0.81 | — | — | |
| SCHEMBL15221214 | 0.80 | — | — | |
| SCHEMBL13647661 | 0.80 | CA1 (0.31) | — | |
| SCHEMBL18359251 | 0.79 | CA1 (0.32) | — | |
| SCHEMBL19624396 | 0.77 | — | — | |
| SCHEMBL13647656 | 0.77 | — | — | |
| SCHEMBL16844713 | 0.76 | — | — | |
| SCHEMBL14143386 | 0.72 | — | — | |
| SCHEMBL17081935 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2677019-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2017-05-31 | — | — | EP | disclosed |
| WO-2015180819-A1 | POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS | MERCK PATENT GMBH (DE) | 2015-12-03 | — | — | WO | disclosed |