⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11582930 | 0.96 | — | — | |
| SCHEMBL750754 | 0.91 | — | — | |
| SCHEMBL7209963 | 0.86 | — | — | |
| SCHEMBL28343842 | 0.86 | — | — | |
| SCHEMBL12373201 | 0.84 | — | — | |
| SCHEMBL12929773 | 0.84 | — | — | |
| SCHEMBL731430 | 0.84 | — | — | |
| SCHEMBL17585383 | 0.83 | — | — | |
| SCHEMBL8449434 | 0.81 | — | — | |
| SCHEMBL8446362 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107880213-B | Siloxane quaternary ammonium salt modified amphiphilic polymer super-extra-heavy oil viscosity reducer and preparation method and application thereof | 山东大学 | 2019-12-24 | — | — | CN | disclosed |