⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7102621 | 0.74 | — | — | |
| SCHEMBL9579681 | 0.73 | — | — | |
| SCHEMBL27606758 | 0.73 | — | — | |
| SCHEMBL4185524 | 0.73 | — | — | |
| SCHEMBL7101262 | 0.73 | — | — | |
| SCHEMBL10432278 | 0.71 | — | — | |
| SCHEMBL1279457 | 0.70 | — | — | |
| SCHEMBL9065603 | 0.69 | — | — | |
| SCHEMBL22129738 | 0.69 | — | — | |
| SCHEMBL28140098 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109956906-A | A kind of preparation method for disliking La Geli key intermediate | 奥锐特药业股份有限公司 | 2019-07-02 | — | — | CN | disclosed |
| CN-104356006-A | Benzyl amines, a process for their production and their use as anti-inflammtory agents | Bayer Pharma AG | 2015-02-18 | — | — | CN | disclosed |
| CN-101636377-B | Benzylamines, processes for their preparation and their use as anti-inflammatory agents | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-10-15 | — | — | CN | disclosed |
| EP-1138657-A1 | Process for generating electrophiles from anions by reaction with electrophilic fluorinating agent | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2001-10-04 | — | — | EP | disclosed |
| US-6270843-B1 | REACTING A SALT COMPRISING ANIONIC FORM OF SUBSTITUENT WITH AN ELECTROPHILIC FLUORINATION AGENT TO PROVIDE AN ELECTROPHILE COMPRISING CATIONIC FORM OF SUBSTITUENT; ELECTROPHILICALLY SUBSTITUTING ELECTROPHILE ON SUBSTRATE | AIR PRODUCTS AND CHEMICALS, INC. | 2001-08-07 | — | — | US | disclosed |