⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5305613 | 0.89 | — | — | |
| SCHEMBL5328719 | 0.87 | — | — | |
| SCHEMBL5305195 | 0.86 | — | — | |
| SCHEMBL5304906 | 0.85 | SPHK1 (0.32) | — | |
| SCHEMBL5817714 | 0.85 | SPHK1 (0.32) | — | |
| SCHEMBL5284486 | 0.85 | SPHK1 (0.32) | — | |
| SCHEMBL5816806 | 0.85 | SPHK1 (0.32) | — | |
| SCHEMBL5291607 | 0.85 | SPHK1 (0.32) | — | |
| SCHEMBL5813831 | 0.85 | SPHK1 (0.32) | — | |
| SCHEMBL5812122 | 0.85 | SPHK1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007006418-A1 | IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2007-01-18 | — | — | WO | disclosed |
| WO-2006131234-A1 | COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2006-12-14 | — | — | WO | disclosed |