⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2884844 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL5469065 | 0.69 | — | — | |
| SCHEMBL4450586 | 0.69 | — | — | |
| SCHEMBL135782 | 0.69 | — | — | |
| SCHEMBL6769773 | 0.69 | — | — | |
| SCHEMBL1977990 | 0.67 | — | — | |
| SCHEMBL28280114 | 0.67 | — | — | |
| SCHEMBL148167 | 0.65 | ALDH1A1 (0.67) | — | |
| SCHEMBL148166 | 0.65 | ALDH1A1 (0.67) | — | |
| SCHEMBL28263177 | 0.65 | — | — |
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-0044675-B1 | PROCESSING OF MELT PROCESSABLE LIQUID CRYSTAL POLYMER BY CONTROL OF THERMAL HISTORY | CELANESE CORPORATION (US) | 1984-05-23 | — | — | EP | disclosed |