⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6665788 | 0.99 | — | — | |
| SCHEMBL6659239 | 0.84 | ALDH1A1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL6665463 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL6660450 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL6663221 | 0.81 | MAOA (0.37) | — | |
| Hydrochloric Acid SCHEMBL7243426 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL6659417 | 0.80 | MEN1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL6659746 | 0.80 | MAOA (0.36) | — | |
| SCHEMBL6661175 | 0.79 | ALDH1A1 (0.46) | — | |
| SCHEMBL6658851 | 0.79 | GAA (0.36) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1232509-C | Diaminopyrazole derivatives and dyes containing these compounds | P & G KRYROER CO (US) | 2005-12-21 | — | — | CN | claimed |
| EP-1268436-B1 | NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS | WELLA AG (DE) | 2004-08-18 | — | — | EP | claimed |
| CN-1441786-A | Novel diamino pyrazole derivatives and dyes containing said compounds | WELLA AG (DE) | 2003-09-10 | — | — | CN | claimed |
| US-6600050-B2 | Inorganic and organic acids and agents, containing these compounds, for the oxidative dyeing of fibers such as hair for hair dyes | WELLA AG (DE) | 2003-07-29 | — | — | US | claimed |
| US-20030115684-A1 | Novel diaminopyrazole derivatives and dyes containing said compounds | HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) | 2003-06-26 | — | — | US | claimed |
| EP-1268436-A1 | NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS | Wella Aktiengesellschaft (DE) | 2003-01-02 | — | — | EP | claimed |
| WO-2002072556-A1 | NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS | WELLA AKTIENGESELLSCHAFT (DE) | 2002-09-19 | — | — | WO | claimed |
| CN-1232509-C | Diaminopyrazole derivatives and dyes containing these compounds | P & G KRYROER CO (US) | 2005-12-21 | — | — | CN | disclosed |
| EP-1268436-B1 | NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS | WELLA AG (DE) | 2004-08-18 | — | — | EP | disclosed |
| CN-1441786-A | Novel diamino pyrazole derivatives and dyes containing said compounds | WELLA AG (DE) | 2003-09-10 | — | — | CN | disclosed |
| US-6600050-B2 | Inorganic and organic acids and agents, containing these compounds, for the oxidative dyeing of fibers such as hair for hair dyes | WELLA AG (DE) | 2003-07-29 | — | — | US | disclosed |
| US-20030115684-A1 | Novel diaminopyrazole derivatives and dyes containing said compounds | HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) | 2003-06-26 | — | — | US | disclosed |
| EP-1268436-A1 | NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS | Wella Aktiengesellschaft (DE) | 2003-01-02 | — | — | EP | disclosed |
| WO-2002072556-A1 | NOVEL DIAMINOPYRAZOLE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS | WELLA AKTIENGESELLSCHAFT (DE) | 2002-09-19 | — | — | WO | disclosed |