⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1271356 | 0.84 | ALDH1A1 (0.34) | — | |
| SCHEMBL4350640 | 0.84 | ALDH1A1 (0.34) | — | |
| SCHEMBL28340716 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL18183340 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL27798197 | 0.80 | DAPK1 (0.32) | — | |
| SCHEMBL17774560 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL8597345 | 0.71 | DAPK1 (0.31) | — | |
| SCHEMBL2862401 | 0.71 | FABP4 (0.37) | — | |
| SCHEMBL28467861 | 0.71 | CYP2C9 (0.32) | — | |
| Sulfuric Acid SCHEMBL8641913 | 0.69 | CA5A (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5409916-A | Brilliant violet shades; free of heavy metals | HOECHST CELANESE CORPORATION (US) | 1995-04-25 | — | — | US | disclosed |
| EP-0355586-B1 | Anthraquinone dye compounds having fibers reactive group | SUMITOMO CHEMICAL CO (JP) | 1995-04-05 | — | — | EP | disclosed |
| WO-1994029283-A1 | FIBER REACTIVE ANTHRAQUINONE DYES | HOECHST CELANESE CORPORATION (US) | 1994-12-22 | — | — | WO | disclosed |
| US-5266696-A | Colorfast dyes, dyeing, printing and dyed fibers | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-11-30 | — | — | US | disclosed |
| US-5112971-A | ANTHRAQUINONE DYE COMPOUNDS HAVING FIBERS REACTIVE GROUP | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1992-05-12 | — | — | US | disclosed |
| EP-0355586-A2 | Anthraquinone dye compounds having fibers reactive group | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-02-28 | — | — | EP | disclosed |