⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5666886 | 0.83 | — | — | |
| SCHEMBL5094720 | 0.82 | EPHX1 (0.33) | — | |
| SCHEMBL3844135 | 0.82 | EPHX1 (0.33) | — | |
| SCHEMBL5086666 | 0.82 | EPHX1 (0.33) | — | |
| SCHEMBL8734792 | 0.81 | POLB (0.31) | — | |
| SCHEMBL4330354 | 0.80 | EPHX1 (0.34) | — | |
| SCHEMBL5667447 | 0.77 | — | — | |
| SCHEMBL6131004 | 0.77 | — | — | |
| SCHEMBL7615179 | 0.77 | — | — | |
| SCHEMBL5698141 | 0.75 | EPHX1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6891013-B1 | Fluorinated polyurethane elastomers prepared from polyether prepolymers formed from mono-substituted fluorinated oxetane monomers and tetrahydrofuran | AEROJET-GENERAL CORPORATION (US) | 2005-05-10 | — | — | US | disclosed |