⚠ 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 SCHEMBL7933547 | 0.97 | — | — | |
| SCHEMBL8108578 | 0.73 | — | — | |
| SCHEMBL164695 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL7371837 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL27637329 | 0.71 | — | — | |
| SCHEMBL11001138 | 0.70 | GABRR1 (0.31) | — | |
| SCHEMBL649262 | 0.69 | GABRR1 (0.32) | — | |
| SCHEMBL22440433 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL10478914 | 0.67 | DNM1 (0.36) | — | |
| SCHEMBL992145 | 0.67 | — | — |
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 |