⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1254061 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL1254065 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1254058 | 0.92 | — | — | |
| SCHEMBL1253148 | 0.89 | — | — | |
| SCHEMBL1253146 | 0.89 | — | — | |
| SCHEMBL1252035 | 0.82 | NPC1 (0.46) | — | |
| SCHEMBL1253882 | 0.81 | — | — | |
| SCHEMBL1253887 | 0.81 | — | — | |
| SCHEMBL5950000 | 0.80 | — | — | |
| SCHEMBL1253884 | 0.80 | — | — |
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-20120010127-A1 | Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same | BERMAN JUDD M (CA) | 2012-01-12 | — | — | US | disclosed |
| US-20110124633-A1 | Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy | BERMAN JUDD | 2011-05-26 | — | — | US | disclosed |