⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13529922 | 0.73 | — | — | |
| SCHEMBL2047109 | 0.64 | — | — | |
| SCHEMBL1682464 | 0.62 | — | — | |
| SCHEMBL8078648 | 0.59 | — | — | |
| SCHEMBL11217594 | 0.59 | — | — | |
| SCHEMBL608739 | 0.59 | — | — | |
| SCHEMBL7154874 | 0.59 | — | — | |
| SCHEMBL10816023 | 0.59 | — | — | |
| SCHEMBL25496033 | 0.58 | — | — | |
| Ethylene Glycol SCHEMBL9377213 | 0.55 | TSHR (0.33) | — |
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-4546097-A | SOLUBILIZERS FOR LIPOPHILIC DRUGS; ANTICARCINOGENIC AGENTS; DIGITON DERIVATIVES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1985-10-08 | — | — | US | claimed |