⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2214673 | 0.85 | TSHR (0.33) | — | |
| SCHEMBL7068968 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL9568673 | 0.73 | — | — | |
| SCHEMBL11324905 | 0.72 | — | — | |
| SCHEMBL7047732 | 0.71 | GAA (0.34) | — | |
| SCHEMBL2468059 | 0.71 | — | — | |
| SCHEMBL10508320 | 0.68 | BRD4 (0.36) | — | |
| SCHEMBL5049711 | 0.68 | BRD4 (0.39) | — | |
| SCHEMBL9167903 | 0.68 | BRD4 (0.33) | — | |
| SCHEMBL5509341 | 0.67 | CA12 (0.31) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0530660-A2 | Water-soluble phthalocyanine dyes, process for their preparation and the use thereof | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-03-10 | — | — | EP | disclosed |
| EP-0229339-B1 | WATER SOLUBLE TRIPHENE DIOXAZINE COMPOUNDS, THEIR STARTING COMPOUNDS CONTAINING SULPHONYL GROUPS, PROCESS FOR THEIR PREPARATION AND USE OF THE TRIPHENE DIOXAZINES AS DYESTUFFS | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-05-16 | — | — | EP | disclosed |
| EP-0190603-B1 | AMINOALKYLENESULFONE-TRIPHENEDIOXAZINE DYES | BAYER AG (DE) | 1989-03-22 | — | — | EP | disclosed |
| EP-0199036-B1 | TRIPHENEDIOXAZINE DYES | BAYER AG (DE) | 1989-01-25 | — | — | EP | disclosed |
| US-4785099-A | FIBER-REACTIVE DYES FOR CELLULOSE | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-11-15 | — | — | US | disclosed |
| EP-0158110-B1 | TRIPHENEDIOXAZINE DYES | BAYER AG (DE) | 1988-06-01 | — | — | EP | disclosed |
| EP-0229339-A2 | Water soluble triphene dioxazine compounds, their starting compounds containing sulphonyl groups, process for their preparation and use of the triphene dioxazines as dyestuffs | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-07-22 | — | — | EP | disclosed |
| US-4665179-A | FIBER-REACTIVE DYES | BAYER AKTIENGESELLSCHAFT (DE) | 1987-05-12 | — | — | US | disclosed |
| US-4622396-A | FIBER REACTIVE DYES | BAYER AKTIENGESELLSCHAFT (DE) | 1986-11-11 | — | — | US | disclosed |
| EP-0199036-A2 | Triphenedioxazine dyes | BAYER AG (DE) | 1986-10-29 | — | — | EP | disclosed |
| EP-0190603-A2 | Aminoalkylenesulfone-triphenedioxazine dyes | BAYER AG (DE) | 1986-08-13 | — | — | EP | disclosed |
| EP-0158857-A2 | Reactive dichlorotriphenyldioxazin dyes | BAYER AG (DE) | 1985-10-23 | — | — | EP | disclosed |
| EP-0158110-A2 | Triphenedioxazine dyes | BAYER AG (DE) | 1985-10-16 | — | — | EP | disclosed |
| EP-0134033-A1 | Benzthiazinophenoxazine dyestuffs | BAYER AG (DE) | 1985-03-13 | — | — | EP | disclosed |