⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36957 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL22771964 | 0.93 | — | — | |
| SCHEMBL11106382 | 0.93 | TSHR (0.93) | — | |
| SCHEMBL21065765 | 0.93 | — | — | |
| Iodide SCHEMBL27224391 | 0.93 | — | — | |
| Water SCHEMBL27224392 | 0.93 | — | — | |
| Bromide SCHEMBL27224390 | 0.93 | — | — | |
| SCHEMBL20922334 | 0.90 | TSHR (0.88) | — | |
| SCHEMBL4166725 | 0.90 | TSHR (0.88) | — | |
| SCHEMBL10045106 | 0.90 | TSHR (0.88) | — |
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-1404762-B1 | A METHOD OF COLORING HAIR USING CATIONIC DYES | BASF SE (DE) | 2009-11-25 | — | — | EP | disclosed |
| US-7078498-B2 | Method of coloring hair using cationic dyes | CIBE SPECIALTY CHEMICALS CORPORATION (US) | 2006-07-18 | — | — | US | disclosed |
| US-6949630-B2 | Cationic reactive dyes | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2005-09-27 | — | — | US | disclosed |
| EP-1404762-A1 | A METHOD OF COLORING HAIR USING CATIONIC DYES | Ciba SC Holding AG (CH) | 2004-04-07 | — | — | EP | disclosed |
| WO-2003006554-A1 | A METHOD OF COLORING HAIR USING CATIONIC DYES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2003-01-23 | — | — | WO | disclosed |