⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5405585 | 0.86 | MAOB (0.32) | — | |
| SCHEMBL5416452 | 0.76 | — | — | |
| SCHEMBL5415359 | 0.68 | GAA (0.33) | — | |
| SCHEMBL5417417 | 0.64 | ESR1 (0.31) | — | |
| SCHEMBL5402506 | 0.61 | EPHX1 (0.32) | — | |
| SCHEMBL1683332 | 0.55 | CCR1 (0.44) | — | |
| P-Xylene SCHEMBL28856424 | 0.55 | ACHE (0.61) | — | |
| P-Xylene SCHEMBL109385 | 0.55 | ACHE (0.61) | — | |
| SCHEMBL20413 | 0.54 | CA2 (0.59) | — | |
| SCHEMBL6466772 | 0.54 | UHRF1 (0.46) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1362049-B1 | PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES | OREAL (FR) | 2006-06-21 | — | — | EP | claimed |
| US-20040088801-A1 | Novel pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres | L'OREAL S.A. (FR) | 2004-05-13 | — | — | US | claimed |
| EP-1362049-A1 | NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES | L'OREAL (FR) | 2003-11-19 | — | — | EP | claimed |
| WO-2002064596-A1 | NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES | L'OREAL (FR) | 2002-08-22 | — | — | WO | claimed |
| US-7192452-B2 | Pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres | L'OREAL S.A. (FR) | 2007-03-20 | — | — | US | disclosed |
| EP-1362049-B1 | PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES | OREAL (FR) | 2006-06-21 | — | — | EP | disclosed |
| US-20040088801-A1 | Novel pyrazolo-triazoles and use of said compounds for dyeing keratinous fibres | L'OREAL S.A. (FR) | 2004-05-13 | — | — | US | disclosed |
| EP-1362049-A1 | NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES | L'OREAL (FR) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002064596-A1 | NOVEL PYRAZOLO-TRIAZOLES AND USE OF SAID COMPOUNDS FOR DYEING KERATINOUS FIBRES | L'OREAL (FR) | 2002-08-22 | — | — | WO | disclosed |