⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11529618 | 0.85 | ALDH1A1 (0.56) | — | |
| SCHEMBL18313750 | 0.84 | — | — | |
| SCHEMBL26755751 | 0.80 | PAOX (0.48) | — | |
| SCHEMBL384401 | 0.80 | — | — | |
| SCHEMBL16303292 | 0.78 | TSHR (0.72) | — | |
| SCHEMBL16087973 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL309977 | 0.77 | — | — | |
| SCHEMBL13385714 | 0.76 | — | — | |
| SCHEMBL14042508 | 0.76 | — | — | |
| SCHEMBL28797886 | 0.74 | — | — |
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-20230190948-A1 | PEPTIDE-LINKED DRUG DELIVERY SYSTEM | CORNELL UNIVERISTY | 2023-06-22 | — | — | US | disclosed |
| US-20120020881-A1 | Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2012-01-26 | — | — | US | disclosed |
| US-20090035215-A1 | RADIOFLUORINATION | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2009-02-05 | — | — | US | disclosed |