⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13298535 | 0.81 | PTPN11 (0.32) | — | |
| SCHEMBL12136694 | 0.80 | FUT8 (0.41) | — | |
| SCHEMBL12965814 | 0.78 | CD40 (0.39) | — | |
| SCHEMBL13482730 | 0.77 | CA12 (0.30) | — | |
| SCHEMBL13482731 | 0.77 | ENPP2 (0.32) | — | |
| SCHEMBL13454544 | 0.74 | MEN1 (0.37) | — | |
| SCHEMBL13809252 | 0.73 | FUT8 (0.34) | — | |
| SCHEMBL13340677 | 0.73 | CARM1 (0.34) | — | |
| SCHEMBL13809262 | 0.72 | FUT8 (0.39) | — | |
| SCHEMBL15255575 | 0.72 | MEN1 (0.37) | — |
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-8083811-B2 | Mixtures of reactive dyes and their use in a method for trichromatic dyeing or printing | HUNTSMAN INTERNATIONAL LLC (US) | 2011-12-27 | — | — | US | disclosed |
| US-20100132135-A1 | REACTIVE DYES, A PROCESS FOR THEIR PREPARATION AND THEIR USE | HUNTSMAN INTERNATIONAL LLC (US) | 2010-06-03 | — | — | US | disclosed |
| US-20100077555-A1 | MIXTURES OF REACTIVE DYES AND THEIR USE IN A METHOD FOR TRICHROMATIC DYEING OR PRINTING | HUNTSMAN INTERNATIONAL LLC (US) | 2010-04-01 | — | — | US | disclosed |