⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12053068 | 1.00 | — | — | |
| SCHEMBL12053083 | 0.97 | ENPP2 (0.30) | — | |
| SCHEMBL12053025 | 0.95 | THRB (0.32) | — | |
| SCHEMBL12052821 | 0.93 | ENPP2 (0.33) | — | |
| SCHEMBL14546785 | 0.92 | THRB (0.33) | — | |
| SCHEMBL14546783 | 0.92 | THRB (0.33) | — | |
| SCHEMBL14546789 | 0.92 | THRB (0.33) | — | |
| SCHEMBL12053049 | 0.91 | THRB (0.38) | — | |
| SCHEMBL12053044 | 0.91 | THRB (0.38) | — | |
| SCHEMBL12053051 | 0.91 | THRB (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8080101-B2 | Azo reactive dyes and mixtures of fiber-reactive azo dyes, their preparation and their use | DYSTAR COLOURS DEUTSCHLAND GMBH (DE) | 2011-12-20 | — | — | US | disclosed |
| US-20080295732-A1 | Azo Reactive Dyes And Mixtures Of Fiber-Reactive Azo Dyes, Their Preparation And Their Use | DYSTAR TEXTILFARBEN GMBH &CO. DEUTSCHLAND KG (DE) | 2008-12-04 | — | — | US | disclosed |