⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22540617 | 1.00 | — | — | |
| SCHEMBL21231971 | 0.98 | — | — | |
| SCHEMBL21232080 | 0.98 | — | — | |
| SCHEMBL21098134 | 0.97 | — | — | |
| SCHEMBL21232285 | 0.97 | CYP3A4 (0.31) | — | |
| SCHEMBL21115434 | 0.96 | CYP3A4 (0.31) | — | |
| SCHEMBL21097875 | 0.96 | CYP3A4 (0.31) | — | |
| SCHEMBL21232227 | 0.95 | — | — | |
| SCHEMBL21115665 | 0.95 | — | — | |
| SCHEMBL26000914 | 0.95 | — | — |
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-3521401-B1 | COMPOUNDS FOR HOMEOTROPIC ALIGNMENT OF LIQUID CRYSTALINE MEDIA | MERCK PATENT GMBH (DE) | 2021-04-21 | — | — | EP | disclosed |
| US-20190241809-A1 | COMPOUNDS FOR THE HOMEOTROPIC ALIGNMENT OF LIQUID-CRYSTALLINE MEDIA | MERCK PATENT GMBH (DE) | 2019-08-08 | — | — | US | disclosed |
| EP-3521401-A1 | COMPOUNDS FOR HOMEOTROPIC ALIGNMENT OF LIQUID CRYSTALINE MEDIA | Merck Patent GmbH (DE) | 2019-08-07 | — | — | EP | disclosed |