⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21722646 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL18420879 | 0.75 | — | — | |
| SCHEMBL22572442 | 0.71 | FAAH (0.43) | — | |
| SCHEMBL10633964 | 0.69 | — | — | |
| SCHEMBL10633967 | 0.69 | — | — | |
| SCHEMBL4913455 | 0.69 | — | — | |
| SCHEMBL1838652 | 0.69 | — | — | |
| SCHEMBL4663593 | 0.67 | — | — | |
| SCHEMBL8000999 | 0.67 | — | — | |
| SCHEMBL833660 | 0.65 | — | — |
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-2708587-B1 | Liquid crystal medium and liquid crystal display | MERCK PATENT GMBH (DE) | 2015-07-15 | — | — | EP | disclosed |
| EP-1201727-B1 | Liquid crystalline medium and electro-optic liquid crystal display | MERCK PATENT GMBH (DE) | 2005-02-16 | — | — | EP | disclosed |