⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6054075 | 0.77 | THRB (0.35) | — | |
| SCHEMBL6152249 | 0.77 | THRB (0.35) | — | |
| SCHEMBL2459778 | 0.74 | — | — | |
| SCHEMBL266764 | 0.74 | — | — | |
| SCHEMBL25354322 | 0.70 | — | — | |
| SCHEMBL9292444 | 0.70 | — | — | |
| Potassium SCHEMBL30146709 | 0.70 | — | — | |
| SCHEMBL14473736 | 0.70 | — | — | |
| SCHEMBL28945780 | 0.70 | — | — | |
| SCHEMBL30959718 | 0.70 | — | — |
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 19 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-1201627-B1 | Ring fluorination of non-activated aromatic compounds | 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-6635760-B2 | Fluorinating a substrate selected from unsubstituted aromatic compounds and aromatic compounds having electron withdrawing substituent(s) comprises contacting substrate with a tri(halo or trifluoromethyl) substituted N-fluorotriazinium salt | AIR PRODUCTS AND CHEMICALS, INC. | 2003-10-21 | — | — | 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 |
| US-20020055662-A1 | Ring fluorination of non-activated aromatic compounds | AIR PRODUCTS AND CHEMICALS, INC. | 2002-05-09 | — | — | US | disclosed |
| EP-1201658-A1 | N-Fluorotriazinium fluorinating agents | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2002-05-02 | — | — | EP | disclosed |
| EP-1201627-A1 | Ring fluorination of non-activated aromatic compounds | 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 |
| US-5892035-A | FLUORINATING THE CORRESPONDING DIAZABICYCLOALKALINE COMPOUND | DAIKIN INDUSTRIES LTD. (JP) | 1999-04-06 | — | — | US | disclosed |
| US-5672426-A | LIQUID CRYSTAL POLYMER FROM P-HYDROXYBENZOIC ACID, HYDROQUINONE, ISOPHTHALIC ACID | HOECHST CELANESE CORP (US) | 1997-09-30 | — | — | US | disclosed |
| EP-0785199-A1 | PROCESSES FOR PRODUCING N,N'-DIFLUORODIAZONIABICYCLO-ALKANE SALTS, INTERMEDIATES IN THE SYNTHESIS OF THE SAME, TARGET PRODUCTS, AND APPLICATION OF THE TARGET PRODUCTS | DAIKIN INDUSTRIES, LIMITED (JP) | 1997-07-23 | — | — | EP | disclosed |
| EP-0688812-A1 | High barrier transparent films | HOECHST CELANESE CORPORATION (US) | 1995-12-27 | — | — | EP | disclosed |
| EP-0483850-B1 | Process for producing salts of fluorinated alcohols | AUSIMONT SPA (IT) | 1995-08-09 | — | — | EP | disclosed |
| US-5227539-A | PROCESS FOR PRODUCING SALTS OF FLUORINATED ALCOHOLS | AUSIMONT S.P.A. (IT) | 1993-07-13 | — | — | US | disclosed |
| EP-0483850-A2 | Process for producing salts of fluorinated alcohols | AUSIMONT S.p.A. (IT) | 1992-05-06 | — | — | EP | disclosed |