⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16072212 | 0.90 | — | — | |
| SCHEMBL17620922 | 0.86 | — | — | |
| SCHEMBL16071700 | 0.86 | — | — | |
| SCHEMBL16072206 | 0.86 | — | — | |
| SCHEMBL17120513 | 0.84 | TLR4 (0.31) | — | |
| SCHEMBL17621178 | 0.84 | — | — | |
| SCHEMBL10016650 | 0.84 | TLR4 (0.31) | — | |
| SCHEMBL12566107 | 0.83 | — | — | |
| SCHEMBL20102770 | 0.83 | CYP1A2 (0.31) | — | |
| SCHEMBL16071761 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2305627-B1 | TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC CORP (JP) | 2014-09-17 | — | — | EP | disclosed |