⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1709016 | 0.95 | — | — | |
| SCHEMBL8892831 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL12327922 | 0.69 | — | — | |
| SCHEMBL7539559 | 0.67 | — | — | |
| SCHEMBL6238860 | 0.67 | — | — | |
| SCHEMBL15628776 | 0.67 | — | — | |
| SCHEMBL12295810 | 0.65 | — | — | |
| SCHEMBL23352925 | 0.63 | — | — | |
| SCHEMBL19421249 | 0.63 | — | — | |
| SCHEMBL12295808 | 0.63 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8497374-B2 | Process for preparing and purifying bortezomib | SCINOPHARM TAIWAN, LTD. (TW) | 2013-07-30 | — | — | US | disclosed |
| US-8022235-B2 | Compositions of phospholipid ether boronic acids and esters and methods for their synthesis and use | CELLECTAR, INC. (US) | 2011-09-20 | — | — | US | disclosed |
| US-8022235-B2 | Compositions of phospholipid ether boronic acids and esters and methods for their synthesis and use | CELLECTAR, INC. (US) | 2011-09-20 | — | — | US | disclosed |
| US-20090018357-A1 | Compositions of phospholipid ether boronic acids and esters and methods for their synthesis and use | CELL ACQUISITION CORP. | 2009-01-15 | — | — | US | disclosed |
| US-20090018357-A1 | Compositions of phospholipid ether boronic acids and esters and methods for their synthesis and use | CELL ACQUISITION CORP. | 2009-01-15 | — | — | US | disclosed |