⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL475787 | 0.78 | TP53 (0.32) | — | |
| SCHEMBL13204860 | 0.78 | TP53 (0.32) | — | |
| SCHEMBL13204871 | 0.78 | TP53 (0.32) | — | |
| SCHEMBL13222520 | 0.78 | TP53 (0.32) | — | |
| SCHEMBL16985220 | 0.71 | — | — | |
| SCHEMBL5305197 | 0.71 | TP53 (0.33) | — | |
| SCHEMBL1824543 | 0.71 | TP53 (0.33) | — | |
| SCHEMBL4485678 | 0.68 | GAA (0.31) | — | |
| SCHEMBL16985219 | 0.67 | — | — | |
| SCHEMBL5068080 | 0.66 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9790252-B2 | 2-fluorinated riboses and arabinoses and methods of use and synthesis | CORNELL UNIVERSITY (US) | 2017-10-17 | — | — | US | disclosed |
| WO-2011003018-A9 | HALOGENATED 2-DEOXY-LACTONES, 2'-DEOXY--NUCLEOSIDES, AND DERIVATIVES THEREOF | CORNELL UNIVERSITY (US) | 2012-11-08 | — | — | WO | disclosed |
| US-20120108535-A1 | 2-FLUORINATED RIBOSES AND ARABINOSES AND METHODS OF USE AND SYNTHESIS | CORNELL UNIVERSITY (US) | 2012-05-03 | — | — | US | disclosed |
| WO-2011003018-A2 | HALOGENATED 2-DEOXY-LACTONES, 2'-DEOXY--NUCLEOSIDES, AND DERIVATIVES THEREOF | CORNELL UNIVERSITY (US) | 2011-01-06 | — | — | WO | disclosed |