⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7913738 | 0.88 | — | — | |
| SCHEMBL7917486 | 0.87 | GPR84 (0.32) | — | |
| SCHEMBL7903575 | 0.86 | — | — | |
| SCHEMBL7914104 | 0.77 | ACACB (0.31) | — | |
| SCHEMBL7911038 | 0.75 | NAAA (0.33) | — | |
| SCHEMBL8833377 | 0.74 | — | — | |
| SCHEMBL8217757 | 0.74 | GPR84 (0.38) | — | |
| SCHEMBL8209357 | 0.74 | GPR84 (0.38) | — | |
| SCHEMBL7911750 | 0.74 | MAOB (0.35) | — | |
| SCHEMBL8834968 | 0.73 | FFAR4 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0640578-B2 | Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition | CHISSO CORP (JP) | 2001-06-27 | — | — | EP | disclosed |
| EP-0640578-B1 | Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition | CHISSO CORP (JP) | 1997-11-05 | — | — | EP | disclosed |
| EP-0640578-A1 | Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition | Chisso Corporation (JP) | 1995-03-01 | — | — | EP | disclosed |