⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7933548 | 0.97 | — | — | |
| SCHEMBL31078314 | 0.68 | — | — | |
| SCHEMBL3643534 | 0.68 | — | — | |
| SCHEMBL3030498 | 0.67 | — | — | |
| SCHEMBL2270665 | 0.67 | — | — | |
| SCHEMBL27618212 | 0.67 | — | — | |
| SCHEMBL782963 | 0.67 | — | — | |
| SCHEMBL4688862 | 0.65 | — | — | |
| SCHEMBL7114580 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL9985807 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0994910-A1 | HETEROCYCLIC QUATERNARY POLYAMMONIUM SILICON POLYMERS AND THEIR USE IN COSMETIC COMPOSITIONS | L'OREAL (FR) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999050338-A1 | HETEROCYCLIC QUATERNARY POLYAMMONIUM SILICON POLYMERS AND THEIR USE IN COSMETIC COMPOSITIONS | L'OREAL (FR) | 1999-10-07 | — | — | WO | disclosed |