Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL4396939 | 0.95 | THRB (0.31) | — | |
| Sulfuric Acid Dimethyl Ester SCHEMBL462142 | 0.94 | — | — | |
| SCHEMBL211012 | 0.92 | THRB (0.33) | — | |
| SCHEMBL8358756 | 0.88 | TSHR (0.35) | — | |
| SCHEMBL31513756 | 0.88 | THRB (0.32) | — | |
| Sulfuric Acid Diethyl Ester SCHEMBL444003 | 0.88 | THRB (0.33) | — | |
| SCHEMBL6396065 | 0.86 | TSHR (0.37) | — | |
| SCHEMBL8356933 | 0.86 | TSHR (0.37) | — | |
| SCHEMBL28333248 | 0.83 | THRB (0.41) | — | |
| Caprolactam SCHEMBL27793382 | 0.83 | KDM4E (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1814511-B1 | METHOD FOR THE PERMANENT SHAPING OF HAIR USING A CATIONIC CELLULOSE DERIVATIVE | PROCTER & GAMBLE (US) | 2009-12-23 | — | — | EP | disclosed |
| EP-1814511-A1 | METHOD FOR THE PERMANENT SHAPING OF HAIR USING A CATIONIC CELLULOSE DERIVATIVE | Wella Aktiengesellschaft (DE) | 2007-08-08 | — | — | EP | disclosed |
| WO-2006056361-A1 | METHOD FOR THE PERMANENT SHAPING OF HAIR USING A CATIONIC CELLULOSE DERIVATIVE | THE PROCTER & GAMBLE COMPANY (US) | 2006-06-01 | — | — | WO | disclosed |
| US-6589509-B2 | Transparent pressure-resistant aerosol container and a device for making foam from a specified composition having two liquid phases- a hydrophilic phase and hydrophobic phase with a distinct phase boundary | WELLA AG (DE) | 2003-07-08 | — | — | US | disclosed |
| US-20020031478-A1 | Clear, two-phase, foam-forming aerosol hair care procuct | Wella GmbH (DE) | 2002-03-14 | — | — | US | disclosed |