⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1794153 | 0.76 | — | — | |
| SCHEMBL732888 | 0.64 | — | — | |
| SCHEMBL1403085 | 0.64 | — | — | |
| SCHEMBL1868426 | 0.64 | — | — | |
| SCHEMBL10422822 | 0.61 | — | — | |
| Malonaldehyde SCHEMBL7767707 | 0.60 | — | — | |
| SCHEMBL18285 | 0.57 | — | — | |
| SCHEMBL724735 | 0.57 | — | — | |
| Malonaldehyde SCHEMBL10949336 | 0.56 | ALDH1A1 (0.42) | — | |
| SCHEMBL8067252 | 0.56 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1201628-B1 | Electrophilic fluorination | AIR PROD & CHEM (US) | 2005-12-14 | — | — | EP | disclosed |
| EP-1201658-B1 | N-Fluorotriazinium fluorinating agents | AIR PROD & CHEM (US) | 2005-08-03 | — | — | EP | disclosed |
| US-6737525-B2 | USEFUL IN FLUORINATING, PREFERABLY IN A NITROMETHANE SOLVENT, CARBANIONIC SPECIES AND/OR ACTIVATED AROMATIC COMPOUNDS | AIR PRODUCTS AND CHEMICALS, INC. | 2004-05-18 | — | — | US | disclosed |
| US-6664391-B2 | N-fluorotriazinium fluorinating agents | AIR PRODUCTS AND CHEMICALS, INC. | 2003-12-16 | — | — | US | disclosed |
| US-20020123627-A1 | N-fluorotriazinium fluorinating agents | AIR PRODUCTS AND CHEMICALS, INC. | 2002-09-05 | — | — | US | disclosed |
| US-20020123657-A1 | Electrophilic fluorination | AIR PRODUCTS AND CHEMICALS, INC. | 2002-09-05 | — | — | US | disclosed |
| EP-1201658-A1 | N-Fluorotriazinium fluorinating agents | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2002-05-02 | — | — | EP | disclosed |
| EP-1201628-A1 | Electrophilic fluorination | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2002-05-02 | — | — | EP | disclosed |