⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7041393 | 0.67 | — | — | |
| SCHEMBL16768797 | 0.67 | TSHR (0.38) | — | |
| SCHEMBL1951870 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL7042707 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL18287715 | 0.67 | — | — | |
| Butane SCHEMBL5064984 | 0.65 | F2 (0.30) | — | |
| SCHEMBL471979 | 0.65 | — | — | |
| SCHEMBL18287706 | 0.65 | — | — | |
| SCHEMBL1694514 | 0.64 | — | — | |
| SCHEMBL6329999 | 0.63 | — | — |
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-0718666-B1 | Liquid crystal-aligning agent | JSR CORP (JP) | 2003-03-26 | — | — | EP | claimed |