⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20869321 | 1.00 | — | — | |
| SCHEMBL14555151 | 0.92 | — | — | |
| SCHEMBL15062159 | 0.88 | — | — | |
| SCHEMBL12177948 | 0.88 | — | — | |
| SCHEMBL19884698 | 0.85 | — | — | |
| SCHEMBL20869335 | 0.84 | — | — | |
| SCHEMBL20869188 | 0.83 | — | — | |
| SCHEMBL26211456 | 0.83 | — | — | |
| SCHEMBL20869336 | 0.83 | — | — | |
| SCHEMBL20869324 | 0.83 | ALDH1A1 (0.32) | — |
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-3877485-B1 | LIQUID CRYSTAL MEDIA COMPRISING POLYMERISABLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2023-09-06 | — | — | EP | disclosed |
| US-20200263091-A1 | POLYMERISABLE COMPOUNDS AND THE USE THEREOF IN LIQUID-CRYSTAL DISPLAYS | MERCK PATENT GMBH (DE) | 2020-08-20 | — | — | US | disclosed |