⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6084845 | 0.70 | — | — | |
| SCHEMBL6041001 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL1893598 | 0.69 | — | — | |
| SCHEMBL2350189 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL115447 | 0.67 | CYP3A4 (0.33) | — | |
| SCHEMBL11584713 | 0.67 | — | — | |
| SCHEMBL9343833 | 0.66 | — | — | |
| SCHEMBL689224 | 0.66 | — | — | |
| SCHEMBL19411796 | 0.65 | — | — | |
| SCHEMBL3817904 | 0.64 | — | — |
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-5298607-A | Reactive dyes for cotton | CIBA-GEIGY CORPORATION (US) | 1994-03-29 | — | — | US | disclosed |
| US-4079051-A | 4-Halogeno-s-triazin-2-yl-phosphoramide acid containing reactive dyestuffs | CIBA-GEIGY CORPORATION (US) | 1978-03-14 | — | — | US | disclosed |
| US-4033944-A | Fibre-reactive hydroxycycloalkenyl-halo triazinyl containing dyestuffs | CIBA-GEIGY CORPORATION (US) | 1977-07-05 | — | — | US | disclosed |
| US-3947407-A | ANTHRAQUINONE DYE | CIBA-GEIGY AG (CH) | 1976-03-30 | — | — | US | disclosed |