⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2731986 | 0.86 | TSHR (0.35) | — | |
| Bromide SCHEMBL31548704 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL250921 | 0.68 | — | — | |
| SCHEMBL2536164 | 0.68 | CHRNA7 (0.33) | — | |
| SCHEMBL6638413 | 0.68 | — | — | |
| SCHEMBL2061000 | 0.61 | — | — | |
| SCHEMBL7123064 | 0.61 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL19510268 | 0.59 | TSHR (0.33) | — | |
| Bromide SCHEMBL1066554 | 0.59 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL7117433 | 0.59 | TSHR (0.33) | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1165464-B1 | PREPARATION OF SELECTIVELY FLUORINATED ORGANIC COMPOUNDS | F2 CHEMICALS LTD (GB) | 2003-08-20 | — | — | EP | claimed |
| JP-2002540177-A | — | — | 2002-11-26 | — | — | JP | claimed |
| EP-1165464-A1 | PREPARATION OF SELECTIVELY FLUORINATED ORGANIC COMPOUNDS | F2 Chemicals Limited (GB) | 2002-01-02 | — | — | EP | claimed |
| WO-2000058241-A1 | PREPARATION OF SELECTIVELY FLUORINATED ORGANIC COMPOUNDS | F2 CHEMICALS LIMITED (GB) | 2000-10-05 | — | — | WO | claimed |
| US-5442084-A | Method of selective fluorination | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1995-08-15 | — | — | US | claimed |
| US-7265249-B2 | Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2007-09-04 | — | — | US | disclosed |
| US-20060252926-A1 | Process for the preparation of pregnanes | SICOR, INC. | 2006-11-09 | — | — | US | disclosed |
| US-20060189830-A1 | Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2006-08-24 | — | — | US | disclosed |
| EP-1474435-B1 | PROCESS FOR THE PREPARATION OF 6-ALPHA FLUORINATED PREGNANES | SICOR INC (US) | 2006-02-22 | — | — | EP | disclosed |
| EP-1165464-B1 | PREPARATION OF SELECTIVELY FLUORINATED ORGANIC COMPOUNDS | F2 CHEMICALS LTD (GB) | 2003-08-20 | — | — | EP | disclosed |
| EP-1280496-A2 | COSMETIC AGENTS CONTAINING 2-FURANONE DERIVATIVES | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-02-05 | — | — | EP | disclosed |
| EP-1165464-A1 | PREPARATION OF SELECTIVELY FLUORINATED ORGANIC COMPOUNDS | F2 Chemicals Limited (GB) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000058241-A1 | PREPARATION OF SELECTIVELY FLUORINATED ORGANIC COMPOUNDS | F2 CHEMICALS LIMITED (GB) | 2000-10-05 | — | — | WO | disclosed |
| EP-0833811-B1 | A PROCESS FOR THE PREPARATION OF ESTERS | F2 CHEMICALS LIMITED (GB) | 2000-04-05 | — | — | EP | disclosed |
| EP-0842177-A1 | PROCESS FOR THE MANUFACTURE OF 1-SUBSTITUTED-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE SALTS | AlliedSignal Inc. (US) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997042193-A1 | PROCESS FOR THE MANUFACTURE OF 1-SUBSTITUTED-4-FLUORO-1,4-DIAZONIABICYCLO[2.2.2]OCTANE SALTS | ALLIEDSIGNAL INC. (US) | 1997-11-13 | — | — | WO | disclosed |
| US-5631372-A | Process for the manufacture of 1-substituted-4-fluoro-1,4-diazoniabicyclo[2.] octane salts | ALLIEDSIGNAL INC. (US) | 1997-05-20 | — | — | US | disclosed |
| US-5552533-A | Preparation of (8S)-8-fluoroerythromycins with N-F fluorinating agents | ALLIEDSIGNAL INC. (US) | 1996-09-03 | — | — | US | disclosed |
| WO-1996008502-A1 | PREPARATION OF (8S)-8-FLUOROERYTHROMYCINS WITH N-F FLUORINATING AGENTS | ALLIEDSIGNAL INC. (US) | 1996-03-21 | — | — | WO | disclosed |
| US-5442084-A | Method of selective fluorination | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1995-08-15 | — | — | US | disclosed |