⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13949182 | 0.92 | — | — | |
| SCHEMBL14020365 | 0.80 | THRB (0.36) | — | |
| SCHEMBL14020342 | 0.78 | PRMT1 (0.40) | — | |
| SCHEMBL12053285 | 0.78 | FUT8 (0.36) | — | |
| SCHEMBL13433122 | 0.77 | CD40 (0.31) | — | |
| SCHEMBL14011991 | 0.77 | ENPP2 (0.33) | — | |
| SCHEMBL13949181 | 0.77 | ENPP2 (0.37) | — | |
| SCHEMBL14362766 | 0.77 | FUT8 (0.36) | — | |
| SCHEMBL13619135 | 0.77 | CD40 (0.33) | — | |
| SCHEMBL14020360 | 0.76 | FUT8 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090018317-A1 | Reactive dyestuffs with alkylthio group and beta-sulfatoethysulfone group | EVERLIGHT USA, INC. (US) | 2009-01-15 | — | — | US | disclosed |