⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL333105 | 0.73 | — | — | |
| SCHEMBL1221706 | 0.69 | — | — | |
| SCHEMBL10355488 | 0.65 | — | — | |
| SCHEMBL17937333 | 0.65 | — | — | |
| SCHEMBL19903757 | 0.65 | — | — | |
| SCHEMBL19043636 | 0.62 | — | — | |
| SCHEMBL20654569 | 0.62 | — | — | |
| SCHEMBL15196093 | 0.60 | — | — | |
| SCHEMBL1573677 | 0.60 | — | — | |
| SCHEMBL27982531 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008019078-A1 | LOW REFRACTIVE INDEX COMPOSITION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-02-14 | — | — | WO | disclosed |