⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1628118 | 0.69 | — | — | |
| SCHEMBL12506114 | 0.67 | — | — | |
| SCHEMBL12413634 | 0.62 | — | — | |
| SCHEMBL16089548 | 0.61 | — | — | |
| SCHEMBL1897392 | 0.61 | — | — | |
| SCHEMBL1628690 | 0.59 | KDM4E (0.37) | — | |
| SCHEMBL9625901 | 0.57 | CA2 (0.36) | — | |
| SCHEMBL8354138 | 0.57 | — | — | |
| SCHEMBL874203 | 0.57 | — | — | |
| SCHEMBL9621367 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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-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 |