⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7145258 | 0.69 | — | — | |
| SCHEMBL560524 | 0.64 | — | — | |
| SCHEMBL7151671 | 0.64 | — | — | |
| SCHEMBL560523 | 0.64 | — | — | |
| SCHEMBL7149053 | 0.60 | — | — | |
| SCHEMBL13932635 | 0.59 | — | — | |
| SCHEMBL9938132 | 0.59 | — | — | |
| SCHEMBL1038317 | 0.59 | — | — | |
| SCHEMBL2733472 | 0.59 | — | — | |
| SCHEMBL1922324 | 0.56 | — | — |
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-0409066-A2 | Optically active compound for liquid crystal and its use | MITSUBISHI RAYON COMPANY, LTD. (JP) | 1991-01-23 | — | — | EP | disclosed |