⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9288296 | 0.87 | GRM5 (0.32) | — | |
| SCHEMBL7557775 | 0.81 | — | — | |
| SCHEMBL7557859 | 0.80 | — | — | |
| SCHEMBL9286929 | 0.76 | PTGS2 (0.31) | — | |
| SCHEMBL7559451 | 0.75 | ACACB (0.31) | — | |
| SCHEMBL7554324 | 0.75 | ACACB (0.31) | — | |
| SCHEMBL9285329 | 0.75 | — | — | |
| SCHEMBL9286998 | 0.74 | KDM4E (0.37) | — | |
| SCHEMBL7560939 | 0.74 | RARB (0.41) | — | |
| SCHEMBL7552801 | 0.73 | MEN1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |