⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3935165 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL10878266 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL12384148 | 0.83 | ALDH1A1 (0.37) | — | |
| SCHEMBL14582939 | 0.82 | — | — | |
| SCHEMBL20176138 | 0.82 | SPHK2 (0.34) | — | |
| SCHEMBL20176136 | 0.82 | — | — | |
| SCHEMBL25808327 | 0.80 | — | — | |
| SCHEMBL24113775 | 0.78 | SPHK2 (0.39) | — | |
| SCHEMBL24601355 | 0.78 | — | — | |
| SCHEMBL21231975 | 0.77 | — | — |
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-3521401-B1 | COMPOUNDS FOR HOMEOTROPIC ALIGNMENT OF LIQUID CRYSTALINE MEDIA | MERCK PATENT GMBH (DE) | 2021-04-21 | — | — | EP | disclosed |
| EP-3323872-B1 | COMPOUNDS FOR HOMOTROPIC ALIGNMENT OF LIQUID CRYSTAL MEDIA | MERCK PATENT GMBH (DE) | 2020-04-15 | — | — | EP | disclosed |
| EP-3521401-A1 | COMPOUNDS FOR HOMEOTROPIC ALIGNMENT OF LIQUID CRYSTALINE MEDIA | Merck Patent GmbH (DE) | 2019-08-07 | — | — | EP | disclosed |
| EP-3323872-A1 | COMPOUNDS FOR HOMOTROPIC ALIGNMENT OF LIQUID CRYSTAL MEDIA | Merck Patent GmbH (DE) | 2018-05-23 | — | — | EP | disclosed |