⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7913546 | 0.81 | DRD2 (0.37) | — | |
| SCHEMBL9239246 | 0.77 | DRD2 (0.36) | — | |
| SCHEMBL7913981 | 0.74 | DRD2 (0.35) | — | |
| SCHEMBL8835013 | 0.65 | OPRL1 (0.33) | — | |
| SCHEMBL7911864 | 0.64 | CYP2C9 (0.39) | — | |
| SCHEMBL7911914 | 0.64 | CYP2C9 (0.37) | — | |
| SCHEMBL7914033 | 0.64 | HTR2C (0.38) | — | |
| SCHEMBL7903600 | 0.64 | ALDH1A1 (0.43) | — | |
| SCHEMBL7917364 | 0.64 | CYP2C9 (0.46) | — | |
| SCHEMBL7911210 | 0.64 | ALDH1A1 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |