⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4308432 | 0.75 | — | — | |
| SCHEMBL4819249 | 0.73 | — | — | |
| SCHEMBL11321291 | 0.73 | — | — | |
| SCHEMBL17512953 | 0.71 | — | — | |
| SCHEMBL2026910 | 0.71 | — | — | |
| SCHEMBL29229638 | 0.71 | — | — | |
| SCHEMBL591997 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL9324462 | 0.69 | — | — | |
| SCHEMBL4023148 | 0.68 | — | — | |
| SCHEMBL28953753 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3076927-A1 | MEANS FOR THE OXIDATIVE DYEING OF HAIR CONTAINING SPECIFIC COMBINATIONS OF DEVELOPERS AND COUPLERS | Henkel AG & Co. KGaA (DE) | 2016-10-12 | — | — | EP | disclosed |
| WO-2015082181-A1 | MEANS FOR THE OXIDATIVE DYEING OF HAIR CONTAINING SPECIFIC COMBINATIONS OF DEVELOPERS AND COUPLERS | HENKEL AG & CO. KGAA (DE) | 2015-06-11 | — | — | WO | disclosed |
| US-7192939-B2 | Pestalotiopsis microsporia isolates and compounds derived therefrom | MONTANA STATE UNIVERSITY (US) | 2007-03-20 | — | — | US | disclosed |
| US-20040009573-A1 | A biologically pure culture of Pestalotiopsis microspora strain 12-30 characterized by possessing antioxidant and antifungal activities in culture media, and containing 1,5,7 trisubstituted 1,3-dihydroisobenzofurans | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-01-15 | — | — | US | disclosed |