⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16168445 | 0.94 | — | — | |
| SCHEMBL15196165 | 0.84 | — | — | |
| SCHEMBL12075661 | 0.76 | — | — | |
| SCHEMBL16749928 | 0.75 | — | — | |
| SCHEMBL15250126 | 0.73 | — | — | |
| SCHEMBL15250415 | 0.71 | PRKD3 (0.31) | — | |
| SCHEMBL17278232 | 0.71 | — | — | |
| SCHEMBL15250407 | 0.70 | MAPT (0.31) | — | |
| SCHEMBL18359251 | 0.70 | CA1 (0.32) | — | |
| SCHEMBL15062123 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2670818-B1 | LIQUID CRYSTAL DISPLAYS WITH HOMEOTROPIC ALIGNMENT | MERCK PATENT GMBH (DE) | 2016-10-05 | — | — | EP | disclosed |
| EP-2990459-A1 | POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS | Merck Patent GmbH (DE) | 2016-03-02 | — | — | EP | disclosed |
| EP-2886627-A1 | Liquid crystalline medium | Merck Patent GmbH (DE) | 2015-06-24 | — | — | EP | disclosed |