⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL39087 | 0.87 | — | — | |
| SCHEMBL1762303 | 0.84 | — | — | |
| SCHEMBL27708973 | 0.81 | — | — | |
| SCHEMBL29373425 | 0.80 | — | — | |
| SCHEMBL61750 | 0.79 | — | — | |
| SCHEMBL29327260 | 0.79 | — | — | |
| SCHEMBL954060 | 0.76 | — | — | |
| SCHEMBL22198755 | 0.76 | — | — | |
| SCHEMBL8995084 | 0.76 | — | — | |
| SCHEMBL466421 | 0.74 | ALDH1A1 (0.31) | — |
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-20150125929-A1 | USE OF CHARGED FLUOROCARBON COMPOSITIONS IN METHODS FOR PURIFICATION OF BIOMOLECULES | EMD MILLIPORE CORPORATION | 2015-05-07 | — | — | US | disclosed |