⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13937231 | 0.96 | — | — | |
| SCHEMBL13937891 | 0.96 | — | — | |
| SCHEMBL9022435 | 0.93 | — | — | |
| SCHEMBL9019626 | 0.92 | — | — | |
| SCHEMBL13937493 | 0.89 | — | — | |
| SCHEMBL13385168 | 0.88 | — | — | |
| SCHEMBL13937788 | 0.88 | — | — | |
| SCHEMBL10164737 | 0.88 | — | — | |
| SCHEMBL12223959 | 0.86 | — | — | |
| SCHEMBL8968290 | 0.86 | — | — |
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-20100309402-A1 | FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2010-12-09 | — | — | US | disclosed |