⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6566609 | 0.72 | PIK3CD (0.35) | — | |
| SCHEMBL30629743 | 0.69 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL22698688 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL10022757 | 0.65 | SLC1A2 (0.33) | — | |
| SCHEMBL406639 | 0.64 | CHRM2 (0.34) | — | |
| SCHEMBL15528690 | 0.60 | KDM4E (0.42) | — | |
| SCHEMBL9749302 | 0.59 | — | — | |
| SCHEMBL20111621 | 0.59 | — | — | |
| SCHEMBL20111667 | 0.58 | POLB (0.34) | — | |
| SCHEMBL4948829 | 0.58 | — | — |
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-20130079497-A1 | PYRENYLOXYSULFONIC ACID FLUORESCENT AGENTS | Life Technologies Corporation (US) | 2013-03-28 | — | — | US | disclosed |