⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22388204 | 0.80 | TLR4 (0.33) | — | |
| SCHEMBL21940584 | 0.71 | CA1 (0.33) | — | |
| SCHEMBL4288322 | 0.71 | CA1 (0.38) | — | |
| SCHEMBL8419229 | 0.69 | KMT2A (0.40) | — | |
| SCHEMBL11572154 | 0.69 | KMT2A (0.40) | — | |
| SCHEMBL22388203 | 0.68 | TLR4 (0.33) | — | |
| SCHEMBL4290970 | 0.64 | CA1 (0.32) | — | |
| SCHEMBL4286549 | 0.64 | CA1 (0.32) | — | |
| SCHEMBL10481597 | 0.62 | — | — | |
| SCHEMBL10488160 | 0.62 | — | — |
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 |