⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7554213 | 0.92 | — | — | |
| SCHEMBL8597421 | 0.83 | PDPK1 (0.31) | — | |
| SCHEMBL8598799 | 0.79 | — | — | |
| SCHEMBL8598774 | 0.78 | — | — | |
| SCHEMBL8518290 | 0.78 | EGFR (0.34) | — | |
| SCHEMBL8671569 | 0.77 | ACACB (0.30) | — | |
| SCHEMBL8598279 | 0.77 | PDE10A (0.30) | — | |
| SCHEMBL7555636 | 0.77 | ACACB (0.30) | — | |
| SCHEMBL7557419 | 0.77 | — | — | |
| SCHEMBL7553154 | 0.76 | — | — |
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 |