⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31737808 | 0.83 | — | — | |
| SCHEMBL29145010 | 0.81 | — | — | |
| SCHEMBL3619277 | 0.80 | — | — | |
| SCHEMBL9542880 | 0.80 | — | — | |
| SCHEMBL4819824 | 0.80 | — | — | |
| SCHEMBL5683210 | 0.77 | — | — | |
| SCHEMBL6664582 | 0.77 | — | — | |
| SCHEMBL12501999 | 0.76 | — | — | |
| SCHEMBL14357528 | 0.74 | — | — | |
| SCHEMBL9911301 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6240929-B1 | POLYSILOXANES WITH HETEROCYCLIC QUATERNARY AMMONIUM GROUPS FOR DETANGLING HAIR AND KERATIN FIBERS | L'OREAL S.A. (FR) | 2001-06-05 | — | — | US | disclosed |
| 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 |