⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3116195 | 0.80 | — | — | |
| SCHEMBL14814059 | 0.79 | TP53 (0.31) | — | |
| SCHEMBL7054495 | 0.76 | — | — | |
| SCHEMBL3110204 | 0.74 | — | — | |
| SCHEMBL9816380 | 0.72 | — | — | |
| SCHEMBL10535127 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL3105085 | 0.70 | CA2 (0.48) | — | |
| SCHEMBL2824928 | 0.69 | — | — | |
| SCHEMBL9816672 | 0.69 | — | — | |
| SCHEMBL28308279 | 0.67 | — | — |
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-6146430-A | Asymmetric dioxazine compound and method for dyeing or printing fiber Material using the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-11-14 | — | — | US | claimed |
| US-6146430-A | Asymmetric dioxazine compound and method for dyeing or printing fiber Material using the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-11-14 | — | — | US | disclosed |
| US-5977358-A | Asymmetric dioxazine compounds, intermediate compounds therefor and application of the asymmetric dioxazine compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1999-11-02 | — | — | US | disclosed |
| US-5837869-A | CHLORINE-FAST DYE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-11-17 | — | — | US | disclosed |