⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28909025 | 0.76 | — | — | |
| SCHEMBL31281423 | 0.65 | CYP3A4 (0.37) | — | |
| SCHEMBL31281273 | 0.64 | — | — | |
| SCHEMBL28780388 | 0.63 | — | — | |
| SCHEMBL28863504 | 0.63 | — | — | |
| SCHEMBL22485542 | 0.62 | — | — | |
| SCHEMBL19140195 | 0.62 | — | — | |
| SCHEMBL28491431 | 0.61 | — | — | |
| Bicarbonate SCHEMBL29168506 | 0.60 | ALDH1A1 (0.30) | — | |
| SCHEMBL14221890 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8674101-B2 | Nucleophilic fluorination of aromatic compounds | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-03-18 | — | — | US | disclosed |
| US-20110178302-A1 | NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-07-21 | — | — | US | disclosed |