⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL127775 | 0.79 | — | — | |
| SCHEMBL1415946 | 0.77 | — | — | |
| SCHEMBL127675 | 0.77 | — | — | |
| SCHEMBL452702 | 0.75 | — | — | |
| SCHEMBL129557 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL4435534 | 0.75 | — | — | |
| SCHEMBL6636820 | 0.73 | — | — | |
| SCHEMBL449290 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL449195 | 0.73 | ALDH1A1 (0.52) | — | |
| SCHEMBL6965319 | 0.73 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0385120-B2 | Fiber reactive asymmetric dioxazine compounds and their use as fiber reactive dyes | SUMITOMO CHEMICAL CO (JP) | 2005-06-15 | — | — | EP | disclosed |
| US-5486607-A | Dioxazine blue dye compound having vinylsulfone type fiber reactive groups | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1996-01-23 | — | — | US | disclosed |
| US-5438137-A | Colorfast bright blue dyes | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-08-01 | — | — | US | disclosed |
| EP-0385120-B1 | Fiber reactive asymmetric dioxazine compounds and their use as fiber reactive dyes | SUMITOMO CHEMICAL CO (JP) | 1995-04-19 | — | — | EP | disclosed |
| US-5272267-A | Asymmetric dioxazine compounds having a triazinyl bridging group and a method of production and use thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-12-21 | — | — | US | disclosed |
| EP-0325246-B1 | DIOXAZINE BLUE DYE COMPOUNDS HAVING VINYLSULFONE TYPE FIBER REACTIVE GROUPS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1992-07-22 | — | — | EP | disclosed |
| US-5068327-A | Dyes for cellulose, polyamides or polyurethanes for blue color | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-11-26 | — | — | US | disclosed |
| EP-0385120-A1 | Fiber reactive asymmetric dioxazine compounds and their use as fiber reactive dyes | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-09-05 | — | — | EP | disclosed |
| EP-0373534-A2 | Symmetrical dioxazine compounds and their use as fiber-reactive dyes | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-06-20 | — | — | EP | disclosed |
| EP-0325246-A2 | Dioxazine blue dye compounds having vinylsulfone type fiber reactive groups | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1989-07-26 | — | — | EP | disclosed |