⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14766438 | 1.00 | — | — | |
| SCHEMBL14765719 | 0.93 | SCN9A (0.31) | — | |
| SCHEMBL14766441 | 0.93 | SCN9A (0.31) | — | |
| SCHEMBL14765724 | 0.91 | KDM1A (0.32) | — | |
| SCHEMBL14765760 | 0.91 | HTR2C (0.35) | — | |
| SCHEMBL14766805 | 0.91 | HTR2C (0.35) | — | |
| SCHEMBL12734904 | 0.91 | KDM4E (0.31) | — | |
| SCHEMBL12739688 | 0.91 | KDM4E (0.31) | — | |
| SCHEMBL14766200 | 0.91 | — | — | |
| SCHEMBL14766958 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8394294-B2 | Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2013-03-12 | — | — | US | disclosed |