⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15220546 | 0.73 | CDK1 (0.33) | — | |
| SCHEMBL15211919 | 0.72 | — | — | |
| SCHEMBL15220530 | 0.69 | NOS1 (0.35) | — | |
| SCHEMBL20821452 | 0.68 | KDM4E (0.37) | — | |
| SCHEMBL9489154 | 0.68 | KDM4E (0.37) | — | |
| SCHEMBL15220541 | 0.67 | MAPKAPK2 (0.42) | — | |
| SCHEMBL15220537 | 0.67 | — | — | |
| SCHEMBL15211936 | 0.66 | NOS1 (0.46) | — | |
| SCHEMBL20898042 | 0.62 | SRC (0.38) | — | |
| SCHEMBL4922313 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |