Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4453950 | 1.00 | — | — | |
| SCHEMBL4455487 | 0.81 | MEN1 (0.36) | — | |
| SCHEMBL4455490 | 0.81 | MEN1 (0.36) | — | |
| SCHEMBL3939285 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL3939287 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL3935871 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL3939290 | 0.73 | KDM4E (0.33) | — | |
| SCHEMBL3935878 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL11272078 | 0.70 | HDAC8 (0.35) | — | |
| SCHEMBL3934045 | 0.67 | MAPT (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 |
|---|---|---|---|---|---|---|---|
| US-7488353-B2 | Cationic heteroarylazine dyes and colorants containing these compounds | WELLA AG (DE) | 2009-02-10 | — | — | US | disclosed |
| US-20070174975-A1 | Cationic heteroarylazine dyes and colorants containing these compounds | Wella GmbH (DE) | 2007-08-02 | — | — | US | disclosed |
| EP-1718705-A1 | CATIONIC HETEROARYL AZINE DYES, AND DYEING AGENTS CONTAINING SAID COMPOUNDS | Wella Aktiengesellschaft (DE) | 2006-11-08 | — | — | EP | disclosed |
| WO-2005083009-A1 | CATIONIC HETEROARYL AZINE DYES, AND DYEING AGENTS CONTAINING SAID COMPOUNDS | WELLA AKTIENGESELLSCHAFT (DE) | 2005-09-09 | — | — | WO | disclosed |