⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10964943 | 0.72 | — | — | |
| SCHEMBL21639792 | 0.70 | — | — | |
| SCHEMBL11003874 | 0.70 | MEN1 (0.55) | — | |
| SCHEMBL6961764 | 0.70 | — | — | |
| SCHEMBL614390 | 0.62 | LMNA (0.32) | — | |
| SCHEMBL613980 | 0.62 | — | — | |
| SCHEMBL612823 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL1585327 | 0.61 | LMNA (0.32) | — | |
| SCHEMBL18154867 | 0.60 | — | — | |
| SCHEMBL9998952 | 0.58 | — | — |
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-20130071444-A1 | Amphiphilic Cationic Polymers and Methods of Use Thereof | THE CHARLOTTE-MECKLENBURG HOSPITAL AUTHORITY D/B/A CAROLINAS HEALTHCARE SYSTEM (US) | 2013-03-21 | — | — | US | disclosed |