⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13708133 | 0.87 | — | — | |
| SCHEMBL9908168 | 0.78 | — | — | |
| SCHEMBL9908170 | 0.74 | CHRM2 (0.32) | — | |
| SCHEMBL9908202 | 0.65 | — | — | |
| SCHEMBL9908185 | 0.63 | PTGER2 (0.34) | — | |
| SCHEMBL9908165 | 0.62 | FLT1 (0.35) | — | |
| SCHEMBL13103026 | 0.62 | CYP1A2 (0.34) | — | |
| SCHEMBL9908159 | 0.61 | RAB9A (0.40) | — | |
| Iodide SCHEMBL3417478 | 0.60 | RAB9A (0.39) | — | |
| SCHEMBL13103072 | 0.60 | MCL1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8197758-B2 | Bodipy fluorophore dyes useful in the labeling and identification of proteins; highly soluble | MONTANA STATE UNIVERSITY (US) | 2012-06-12 | — | — | US | disclosed |
| US-20100036133-A1 | NOVEL ZWITTERIONIC DYES FOR LABELING IN PROTEOMIC AND OTHER BIOLOGICAL ANALYSES | MONTANA STATE UNIVERSITY (US) | 2010-02-11 | — | — | US | disclosed |