⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8160672 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL11776926 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL28361970 | 0.74 | — | — | |
| SCHEMBL717495 | 0.74 | — | — | |
| SCHEMBL11786338 | 0.74 | — | — | |
| SCHEMBL5469060 | 0.74 | — | — | |
| SCHEMBL135781 | 0.74 | — | — | |
| SCHEMBL11702690 | 0.72 | — | — | |
| SCHEMBL16792368 | 0.72 | — | — | |
| SCHEMBL16792369 | 0.70 | KEAP1 (0.30) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003006560-A2 | AQUEOUS INK FORMULATIONS FOR INKJET PRINTING | DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) | 2003-01-23 | — | — | WO | disclosed |
| EP-1132433-A2 | Water-soluble fibre-reactive dyestuffs, process for their preparation and their use | DyStar Textilfarben GmbH & Co. Deutschland KG (DE) | 2001-09-12 | — | — | EP | disclosed |
| EP-1127923-A2 | Water-soluble fibre-reactive dyestuffs, process for their preparation and their use | DyStar Textilfarben GmbH & Co. Deutschland KG (DE) | 2001-08-29 | — | — | EP | disclosed |
| EP-1054889-A1 | NEW OXAZOLIDINONES WITH AZOL-CONTAINING TRICYCLES | Bayer Aktiengesellschaft (DE) | 2000-11-29 | — | — | EP | disclosed |
| US-6060591-A | FOR DYEING A MATERIAL CONTAINING HYDROXY OR CARBOXAMIDE GROUPS OR BOTH | DY STAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND K.G. (DE) | 2000-05-09 | — | — | US | disclosed |
| WO-1999040094-A1 | AGENT FOR SEALING METALLIC GROUND COATS, ESPECIALLY GROUND COATS CONSISTING OF ZINC OR ZINC ALLOYS | BAYER AKTIENGESELLSCHAFT (DE) | 1999-08-12 | — | — | WO | disclosed |
| EP-0848042-A2 | Water-soluble fiber-reactive dyes, process for their preparation and the use thereof | DyStar Textilfarben GmbH & Co. Deutschland KG (DE) | 1998-06-17 | — | — | EP | disclosed |