⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19970357 | 1.00 | — | — | |
| SCHEMBL19970397 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL19970394 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL15189626 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL15189627 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL19970368 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL19676527 | 0.78 | — | — | |
| SCHEMBL19676526 | 0.74 | — | — | |
| SCHEMBL14612459 | 0.74 | — | — | |
| SCHEMBL15203014 | 0.74 | TSHR (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3512604-B1 | STABLE YELLOW IMIDAZOLIUM COMPOUNDS AND METHODS FOR THEIR USE | WELLA OPERATIONS US LLC (US) | 2023-05-31 | — | — | EP | disclosed |
| EP-3512604-A1 | STABLE YELLOW IMIDAZOLIUM COMPOUNDS AND METHODS FOR THEIR USE | Noxell Corporation (US) | 2019-07-24 | — | — | EP | disclosed |
| US-10093807-B2 | Stable yellow imidazolium compounds | NOXELL CORPORATION (US) | 2018-10-09 | — | — | US | disclosed |
| WO-2018053027-A1 | STABLE YELLOW IMIDAZOLIUM COMPOUNDS AND METHODS FOR THEIR USE | NOXELL CORPORATION (US) | 2018-03-22 | — | — | WO | disclosed |
| US-20180078477-A1 | Method of Coloring Hair with Washfast Yellow Imidazolium Direct Dye Compounds | WELLA OPERATIONS US, LLC | 2018-03-22 | — | — | US | disclosed |
| US-20180079907-A1 | Stable Yellow Imidazolium Compounds | WELLA OPERATIONS US, LLC | 2018-03-22 | — | — | US | disclosed |
| US-9918919-B1 | Method of coloring hair with washfast yellow imidazolium direct dye compounds | NOXELL CORPORATION (US) | 2018-03-20 | — | — | US | disclosed |