⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12491688 | 0.92 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL20723040 | 0.90 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL28732038 | 0.90 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL28349216 | 0.90 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL15484967 | 0.90 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL28251556 | 0.90 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL14731995 | 0.89 | HRH3 (0.37) | — | |
| SCHEMBL28814987 | 0.88 | ALDH1A1 (0.34) | — | |
| SCHEMBL5180031 | 0.87 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL14731999 | 0.84 | HTR6 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7514507-B2 | Comb-shaped epoxy resin and method for preparing comb-shaped epoxy resin | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2009-04-07 | — | — | US | disclosed |
| US-20070142611-A1 | Comb-shaped epoxy resin and method for preparing comb-shaped epoxy resin | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2007-06-21 | — | — | US | disclosed |