⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16139804 | 0.81 | CES2 (0.30) | — | |
| SCHEMBL2721538 | 0.78 | CES2 (0.37) | — | |
| SCHEMBL4900526 | 0.76 | AKR1B1 (0.34) | — | |
| SCHEMBL31131009 | 0.76 | AKR1B1 (0.34) | — | |
| SCHEMBL1174309 | 0.76 | — | — | |
| SCHEMBL288166 | 0.75 | CES2 (0.34) | — | |
| SCHEMBL8141334 | 0.74 | — | — | |
| SCHEMBL6873077 | 0.72 | — | — | |
| SCHEMBL8093719 | 0.72 | TUBB1 (0.44) | — | |
| SCHEMBL2141511 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100197960-A1 | METHOD FOR THE ORGANOCATALYTIC ACTIVATION OF CARBOXYLIC ACIDS FOR CHEMICAL, REACTIONS USING ORTHOSUBSTITUTED ARYLBORONIC ACIDS | THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) | 2010-08-05 | — | — | US | claimed |
| EP-2193134-A1 | METHOD FOR THE ORGANOCATALYTIC ACTIVATION OF CARBOXYLIC ACIDS FOR CHEMICAL REACTIONS USING ORTHOSUBSTITUTED ARYLBORONIC ACIDS | The Governors Of The University Of Alberta (CA) | 2010-06-09 | — | — | EP | claimed |
| WO-2009030022-A1 | METHOD FOR THE ORGANOCATALYTIC ACTIVATION OF CARBOXYLIC ACIDS FOR CHEMICAL REACTIONS USING ORTHOSUBSTITUTED ARYLBORONIC ACIDS | THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) | 2009-03-12 | — | — | WO | claimed |
| US-8822720-B2 | Method for the organocatalytic activation of carboxylic acids for chemical, reactions using orthosubstituted arylboronic acids | THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) | 2014-09-02 | — | — | US | disclosed |
| US-20100197960-A1 | METHOD FOR THE ORGANOCATALYTIC ACTIVATION OF CARBOXYLIC ACIDS FOR CHEMICAL, REACTIONS USING ORTHOSUBSTITUTED ARYLBORONIC ACIDS | THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) | 2010-08-05 | — | — | US | disclosed |
| EP-2193134-A1 | METHOD FOR THE ORGANOCATALYTIC ACTIVATION OF CARBOXYLIC ACIDS FOR CHEMICAL REACTIONS USING ORTHOSUBSTITUTED ARYLBORONIC ACIDS | The Governors Of The University Of Alberta (CA) | 2010-06-09 | — | — | EP | disclosed |
| WO-2009030022-A1 | METHOD FOR THE ORGANOCATALYTIC ACTIVATION OF CARBOXYLIC ACIDS FOR CHEMICAL REACTIONS USING ORTHOSUBSTITUTED ARYLBORONIC ACIDS | THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) | 2009-03-12 | — | — | WO | disclosed |