⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5801343 | 0.90 | — | — | |
| SCHEMBL18960019 | 0.82 | — | — | |
| SCHEMBL12561362 | 0.82 | — | — | |
| SCHEMBL7729427 | 0.81 | CYP2C9 (0.34) | — | |
| SCHEMBL7729434 | 0.81 | CYP2C9 (0.34) | — | |
| SCHEMBL14226540 | 0.81 | — | — | |
| SCHEMBL7729441 | 0.81 | CYP2C9 (0.34) | — | |
| SCHEMBL12357151 | 0.79 | — | — | |
| SCHEMBL12032298 | 0.78 | CYP2C9 (0.32) | — | |
| SCHEMBL17070229 | 0.78 | CYP2C9 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006053628-A1 | LIQUID CRYSTAL COMPOUNDS, LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DISPLAY | MERCK PATENT GMBH (DE) | 2006-05-26 | — | — | WO | disclosed |