⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL19412280 | 0.95 | — | — | |
| SCHEMBL2982054 | 0.95 | — | — | |
| SCHEMBL3645045 | 0.78 | — | — | |
| Propene SCHEMBL118002 | 0.76 | — | — | |
| Propene SCHEMBL16568392 | 0.73 | — | — | |
| SCHEMBL28009867 | 0.73 | — | — | |
| Propene SCHEMBL19915254 | 0.73 | — | — | |
| Ethane SCHEMBL359595 | 0.72 | — | — | |
| SCHEMBL1168 | 0.71 | — | — | |
| SCHEMBL6060607 | 0.71 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9833421-B2 | Method for synthesizing (E)-anethol and related compounds by cross coupling reaction of potassium allyltrifluroborate and 4-bromoanisole and aryl halides | TENNESSEE BOARD OF REGENTS (US) | 2017-12-05 | — | — | US | disclosed |
| US-20140336270-A1 | Method for synthesizing (E)-Anethol and Related Compounds By Cross Coupling Reaction of Potassium allyltrifluroborate and 4-bromoanisole and aryl halides | TENNESSEE BOARD OF REGENTS (US) | 2014-11-13 | — | — | US | disclosed |
| US-8383859-B2 | Methods of preparing primary, secondary and tertiary carbinamine compounds in the presence of ammonia | THADANI AVINASH N (CA) | 2013-02-26 | — | — | US | disclosed |
| US-20120010298-A1 | Method for synthesizing (E)-Anethol and Related Compounds By Cross Coupling Reaction of Potassium alllyltrifluroborate and 4-bromoanisole and aryl halides | TENNESSEE STATE UNIVERSITY, DEPARTMENT OF CHEMISTRY | 2012-01-12 | — | — | US | disclosed |
| US-20100174090-A1 | METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA | THADANI AVINASH N | 2010-07-08 | — | — | US | disclosed |
| WO-2008119162-A1 | METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2008-10-09 | — | — | WO | disclosed |