⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8544729 | 0.90 | — | — | |
| SCHEMBL8540407 | 0.84 | NPC1 (0.33) | — | |
| SCHEMBL8546579 | 0.83 | — | — | |
| SCHEMBL8542621 | 0.83 | NPC1 (0.33) | — | |
| SCHEMBL6966974 | 0.82 | MEN1 (0.31) | — | |
| SCHEMBL8546599 | 0.82 | CTRC (0.31) | — | |
| SCHEMBL8540320 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL8545560 | 0.80 | CTRC (0.31) | — | |
| SCHEMBL8544771 | 0.80 | MEN1 (0.37) | — | |
| SCHEMBL7557751 | 0.80 | MEN1 (0.33) | — |
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-0736078-B1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION | MINNESOTA MINING & MFG (US) | 1998-06-24 | — | — | EP | disclosed |