⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2438532 | 0.78 | — | — | |
| SCHEMBL15095 | 0.73 | — | — | |
| SCHEMBL9006357 | 0.73 | — | — | |
| SCHEMBL6899401 | 0.73 | — | — | |
| SCHEMBL51292 | 0.72 | — | — | |
| SCHEMBL20905780 | 0.71 | — | — | |
| Tromethamine SCHEMBL534101 | 0.69 | MEN1 (0.50) | — | |
| SCHEMBL1253579 | 0.69 | — | — | |
| Water SCHEMBL11323077 | 0.69 | — | — | |
| SCHEMBL22388458 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200230569-A1 | MXENE SORBENT FOR REMOVAL OF SMALL MOLECULES FROM DIALYSATE | DREXEL UNIVERSITY | 2020-07-23 | — | — | US | disclosed |