⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14004395 | 0.94 | KDM4E (0.31) | — | |
| SCHEMBL14004448 | 0.88 | KDM4E (0.30) | — | |
| SCHEMBL14004445 | 0.88 | KDM4E (0.30) | — | |
| SCHEMBL14004401 | 0.83 | — | — | |
| SCHEMBL14004272 | 0.79 | CD40 (0.35) | — | |
| SCHEMBL14004405 | 0.78 | — | — | |
| SCHEMBL14004265 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL14004392 | 0.73 | CD40 (0.35) | — | |
| SCHEMBL14004373 | 0.72 | CD40 (0.34) | — | |
| SCHEMBL14004450 | 0.71 | KDM4E (0.32) | — |
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-20080289124-A1 | Reactive Azo Dyes, Methods for the Production Thereof and Their Use | DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) | 2008-11-27 | — | — | US | disclosed |
| US-20080289124-A1 | Reactive Azo Dyes, Methods for the Production Thereof and Their Use | DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) | 2008-11-27 | — | — | US | disclosed |