⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3454631 | 0.87 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL3454633 | 0.87 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL5562622 | 0.87 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL13047086 | 0.79 | — | — | |
| SCHEMBL13455428 | 0.78 | PTGS1 (0.39) | — | |
| SCHEMBL13923798 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL433700 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL9009581 | 0.76 | — | — | |
| SCHEMBL5836070 | 0.76 | — | — | |
| SCHEMBL5836069 | 0.76 | — | — |
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-7838697-B2 | Manufacturing method of organoboron compound | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2010-11-23 | — | — | US | disclosed |
| US-20080262257-A1 | MANUFACTURING METHOD OF ORGANOBORON COMPOUND | NIPPON CHEMICAL INDUSTRIAL CO., LTD (JP) | 2008-10-23 | — | — | US | disclosed |