⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2511084 | 0.70 | — | — | |
| SCHEMBL4284220 | 0.68 | — | — | |
| SCHEMBL11257964 | 0.65 | — | — | |
| SCHEMBL12949962 | 0.62 | — | — | |
| SCHEMBL11939916 | 0.62 | — | — | |
| SCHEMBL1148999 | 0.62 | — | — | |
| SCHEMBL13140827 | 0.62 | NOS3 (0.31) | — | |
| SCHEMBL14104111 | 0.62 | NOS3 (0.31) | — | |
| SCHEMBL24625108 | 0.60 | KDM4E (0.46) | — | |
| SCHEMBL10958421 | 0.58 | CRBN (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8252559-B2 | Methods and systems for selective fluorination of organic molecules | THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2012-08-28 | — | — | US | disclosed |
| US-8252559-B2 | Methods and systems for selective fluorination of organic molecules | THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2012-08-28 | — | — | US | disclosed |
| US-8252559-B2 | Methods and systems for selective fluorination of organic molecules | THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2012-08-28 | — | — | US | disclosed |
| US-20090209010-A1 | METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2009-08-20 | — | — | US | disclosed |
| US-20090209010-A1 | METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2009-08-20 | — | — | US | disclosed |
| US-20090209010-A1 | METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2009-08-20 | — | — | US | disclosed |