⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10021166 | 0.78 | — | — | |
| SCHEMBL25159506 | 0.78 | PTPN1 (0.39) | — | |
| SCHEMBL13044912 | 0.67 | — | — | |
| SCHEMBL2531786 | 0.66 | — | — | |
| SCHEMBL12286170 | 0.66 | — | — | |
| SCHEMBL5983649 | 0.66 | PTPN1 (0.32) | — | |
| SCHEMBL5981050 | 0.65 | — | — | |
| SCHEMBL11984294 | 0.63 | — | — | |
| SCHEMBL13958778 | 0.63 | — | — | |
| SCHEMBL5978331 | 0.63 | ACHE (0.39) | — |
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-2116522-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY | Chisso Corporation (JP) | 2009-11-11 | — | — | EP | disclosed |