⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14004405 | 0.95 | — | — | |
| SCHEMBL14004450 | 0.90 | KDM4E (0.32) | — | |
| SCHEMBL14004458 | 0.90 | KDM4E (0.32) | — | |
| SCHEMBL14004394 | 0.83 | — | — | |
| SCHEMBL14004272 | 0.80 | CD40 (0.35) | — | |
| SCHEMBL14004395 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL14004392 | 0.74 | CD40 (0.35) | — | |
| SCHEMBL14004373 | 0.73 | CD40 (0.34) | — | |
| SCHEMBL14004597 | 0.73 | KMT2A (0.35) | — | |
| SCHEMBL14004600 | 0.72 | KDM4E (0.35) | — |
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 |