⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13749975 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28550595 | 0.69 | — | — | |
| SCHEMBL7725 | 0.60 | — | — | |
| SCHEMBL2556849 | 0.60 | — | — | |
| SCHEMBL2199178 | 0.59 | — | — | |
| SCHEMBL24364167 | 0.57 | — | — | |
| SCHEMBL8854104 | 0.57 | — | — | |
| SCHEMBL20627770 | 0.57 | — | — | |
| SCHEMBL43027 | 0.57 | — | — | |
| SCHEMBL953793 | 0.57 | — | — |
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-8552176-B2 | Glycosylated chlorambucil analogs and uses thereof | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2013-10-08 | — | — | US | disclosed |
| US-20120094946-A1 | GLYCOSYLATED CHLORAMBUCIL ANALOGS AND USES THEREOF | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2012-04-19 | — | — | US | disclosed |