⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15211521 | 0.90 | — | — | |
| SCHEMBL15220648 | 0.88 | CYP1A2 (0.32) | — | |
| SCHEMBL15220640 | 0.86 | NPC1 (0.32) | — | |
| SCHEMBL16282421 | 0.84 | — | — | |
| SCHEMBL15220646 | 0.84 | SIRT2 (0.31) | — | |
| SCHEMBL15220639 | 0.81 | NOS1 (0.34) | — | |
| SCHEMBL15220647 | 0.81 | NPC1 (0.31) | — | |
| SCHEMBL15220642 | 0.81 | — | — | |
| SCHEMBL15212115 | 0.80 | BACE1 (0.32) | — | |
| SCHEMBL15220556 | 0.79 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9132073-B2 | Oxidation dye precursors | HENKEL AG & CO. KGAA (DE) | 2015-09-15 | — | — | US | claimed |
| EP-2816992-A2 | NOVEL OXIDATION DYE PRECURSORS | Henkel AG & Co. KGaA (DE) | 2014-12-31 | — | — | EP | claimed |
| US-20140359951-A1 | NOVEL OXIDATION DYE PRECURSORS | HENKEL AG & CO. KGAA (DE) | 2014-12-11 | — | — | US | claimed |
| WO-2013124363-A2 | NOVEL OXIDATION DYE PRECURSORS | HENKEL AG & CO. KGAA (DE) | 2013-08-29 | — | — | WO | claimed |
| US-9132073-B2 | Oxidation dye precursors | HENKEL AG & CO. KGAA (DE) | 2015-09-15 | — | — | US | disclosed |
| US-9132073-B2 | Oxidation dye precursors | HENKEL AG & CO. KGAA (DE) | 2015-09-15 | — | — | US | disclosed |
| EP-2816992-A2 | NOVEL OXIDATION DYE PRECURSORS | Henkel AG & Co. KGaA (DE) | 2014-12-31 | — | — | EP | disclosed |
| US-20140359951-A1 | NOVEL OXIDATION DYE PRECURSORS | HENKEL AG & CO. KGAA (DE) | 2014-12-11 | — | — | US | disclosed |
| US-20140359951-A1 | NOVEL OXIDATION DYE PRECURSORS | HENKEL AG & CO. KGAA (DE) | 2014-12-11 | — | — | US | disclosed |
| WO-2013124363-A2 | NOVEL OXIDATION DYE PRECURSORS | HENKEL AG & CO. KGAA (DE) | 2013-08-29 | — | — | WO | disclosed |
| WO-2013124363-A2 | NOVEL OXIDATION DYE PRECURSORS | HENKEL AG & CO. KGAA (DE) | 2013-08-29 | — | — | WO | disclosed |