⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5012910 | 0.69 | — | — | |
| SCHEMBL7572910 | 0.67 | — | — | |
| SCHEMBL10337446 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL1231812 | 0.65 | — | — | |
| SCHEMBL5246 | 0.65 | — | — | |
| SCHEMBL5046941 | 0.61 | — | — | |
| Dimethoxymethane SCHEMBL4642 | 0.60 | — | — | |
| Dimethoxymethane SCHEMBL474301 | 0.60 | — | — | |
| Dimethoxymethane SCHEMBL8330941 | 0.60 | — | — | |
| SCHEMBL6347412 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1829521-B | Hydrolysis resistant boron-containing therapeutics and methods of use | ANACOR PHARMACEUTICALS INC | 2011-01-26 | — | — | CN | disclosed |
| CN-1829521-A | Hydrolysis resistant boron-containing therapeutics and methods of use | ANACOR PHARMACEUTICALS INC (US) | 2006-09-06 | — | — | CN | disclosed |