⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12327923 | 0.69 | — | — | |
| SCHEMBL12295810 | 0.65 | — | — | |
| SCHEMBL12295809 | 0.63 | — | — | |
| SCHEMBL820399 | 0.61 | — | — | |
| SCHEMBL9500691 | 0.61 | — | — | |
| SCHEMBL3069575 | 0.61 | — | — | |
| SCHEMBL15139217 | 0.57 | — | — | |
| SCHEMBL15139218 | 0.56 | — | — | |
| SCHEMBL10095236 | 0.55 | — | — | |
| SCHEMBL6348022 | 0.55 | — | — |
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-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 |