⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6934675 | 0.82 | SLC6A3 (0.33) | — | |
| SCHEMBL6935626 | 0.71 | CXCR4 (0.30) | — | |
| SCHEMBL7263069 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL23581077 | 0.65 | — | — | |
| SCHEMBL14305159 | 0.63 | ADRA2B (0.34) | — | |
| SCHEMBL1805254 | 0.63 | GAA (0.36) | — | |
| SCHEMBL16037181 | 0.62 | — | — | |
| SCHEMBL33611 | 0.61 | KDM4E (0.37) | — | |
| Hydrochloric Acid SCHEMBL7113352 | 0.60 | KDM4E (0.36) | — | |
| SCHEMBL6932431 | 0.59 | ALDH1A1 (0.38) | — |
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-1304995-A2 | AGENT FOR DYEING KERATIN CONTAINING FIBERS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-05-02 | — | — | EP | claimed |
| WO-2002009662-A2 | AGENT FOR DYEING KERATIN CONTAINING FIBERS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2002-02-07 | — | — | WO | claimed |
| EP-1304995-A2 | AGENT FOR DYEING KERATIN CONTAINING FIBERS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-05-02 | — | — | EP | disclosed |
| WO-2002009662-A2 | AGENT FOR DYEING KERATIN CONTAINING FIBERS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2002-02-07 | — | — | WO | disclosed |