⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9336416 | 0.79 | — | — | |
| SCHEMBL9682570 | 0.75 | — | — | |
| SCHEMBL9178065 | 0.72 | — | — | |
| SCHEMBL9680756 | 0.68 | KHK (0.32) | — | |
| SCHEMBL10620477 | 0.67 | — | — | |
| SCHEMBL11293547 | 0.65 | — | — | |
| SCHEMBL11115432 | 0.65 | — | — | |
| SCHEMBL9680110 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL8635860 | 0.61 | CYP1A2 (0.30) | — | |
| SCHEMBL10744805 | 0.61 | KEAP1 (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5128455-A | WATER-SOLUBLE FIBER-REACTIVE DYES, CONTAINING AN AMINO-SUBSTITUTED 5-TRIAZINE RING WITH A FIBER-REACTIVE GROUP OF THE VINYLSULFONE SERIES | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-07-07 | — | — | US | disclosed |
| US-4948879-A | Monoazo compounds containing a fiber-reactive group and an oxazolopyridone or oxazinopyridone coupling component | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-08-14 | — | — | US | disclosed |
| EP-0374911-A1 | Water-soluble, fibre-reactive dyes, methods for their preparation and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-06-27 | — | — | EP | disclosed |
| EP-0316778-A2 | 2-Hydroxy-pyridone azo compounds, process for their preparation and their use as dyestuffs | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-05-24 | — | — | EP | disclosed |
| EP-0316779-A2 | Pyridone azo compounds, process for their preparation and their use as dyestuffs | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-05-24 | — | — | EP | disclosed |