⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13340600 | 1.00 | — | — | |
| SCHEMBL13340757 | 0.95 | PTPN11 (0.31) | — | |
| SCHEMBL12053315 | 0.95 | — | — | |
| SCHEMBL12053283 | 0.95 | — | — | |
| SCHEMBL13340653 | 0.92 | ENPP2 (0.31) | — | |
| SCHEMBL13340644 | 0.92 | ENPP2 (0.31) | — | |
| SCHEMBL13340732 | 0.92 | — | — | |
| SCHEMBL12053298 | 0.92 | CD40 (0.35) | — | |
| SCHEMBL13340927 | 0.91 | ENPP2 (0.33) | — | |
| SCHEMBL13340645 | 0.91 | ENPP2 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7708786-B2 | Dye mixtures of fiber-reactive azo dyes, their preparation and use | DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) | 2010-05-04 | — | — | US | disclosed |
| US-20090025152-A1 | DYE MIXTURES OF FIBER-REACTIVE AZO DYES, THEIR PREPARATION AND USE | DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) | 2009-01-29 | — | — | US | disclosed |
| US-7455699-B2 | Dye mixtures of fiber-reactive azo dyes, their preparation and use | DYSTAR TEXILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) | 2008-11-25 | — | — | US | disclosed |