⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9054305 | 0.82 | — | — | |
| SCHEMBL8544729 | 0.76 | — | — | |
| SCHEMBL8540411 | 0.71 | — | — | |
| SCHEMBL9055258 | 0.65 | — | — | |
| SCHEMBL7914644 | 0.64 | — | — | |
| SCHEMBL8544724 | 0.63 | AAK1 (0.30) | — | |
| SCHEMBL8545574 | 0.62 | PTPN5 (0.33) | — | |
| SCHEMBL7561623 | 0.62 | ESR1 (0.30) | — | |
| SCHEMBL28080934 | 0.62 | LMNA (0.37) | — | |
| SCHEMBL27681963 | 0.61 | ALDH1A1 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0736078-A1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-10-09 | — | — | EP | disclosed |
| WO-1995017481-A1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-06-29 | — | — | WO | disclosed |