⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14013096 | 0.85 | CA12 (0.38) | — | |
| SCHEMBL14013095 | 0.82 | — | — | |
| SCHEMBL14038464 | 0.81 | ENPP2 (0.40) | — | |
| SCHEMBL14013104 | 0.75 | ENPP2 (0.37) | — | |
| SCHEMBL14013088 | 0.74 | CA12 (0.34) | — | |
| SCHEMBL14013089 | 0.73 | FUT8 (0.32) | — | |
| SCHEMBL14013143 | 0.69 | FUT8 (0.39) | — | |
| SCHEMBL14013139 | 0.69 | FUT8 (0.39) | — | |
| SCHEMBL13482732 | 0.67 | CA12 (0.34) | — | |
| SCHEMBL14013106 | 0.67 | CA12 (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-20080280053-A1 | Reactive Dyes Containing Divalent Sulfur in Non-Reactive Side Chain at Trizine Nucleus | DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) | 2008-11-13 | — | — | US | disclosed |