⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8601219 | 1.00 | — | — | |
| SCHEMBL7555429 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL7555426 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL8036749 | 0.89 | — | — | |
| SCHEMBL8036754 | 0.89 | — | — | |
| SCHEMBL7558274 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL7558278 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL8601970 | 0.84 | CYP2D6 (0.33) | — | |
| SCHEMBL8601973 | 0.84 | CYP2D6 (0.33) | — | |
| SCHEMBL7556889 | 0.83 | — | — |
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-0667384-B1 | Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same | SUMITOMO CHEMICAL CO (JP) | 1998-12-16 | — | — | EP | disclosed |
| US-5779934-A | FLUORINATING AN ALCOHOL DERIVATIVE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-07-14 | — | — | US | disclosed |
| EP-0667384-A1 | Fluorine-containing optically active compound, process for preparing the same and liquid crystal mixture and liquid crystal element comprising the same | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1995-08-16 | — | — | EP | disclosed |