⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1567747 | 0.72 | — | — | |
| SCHEMBL2138122 | 0.72 | — | — | |
| SCHEMBL4542505 | 0.72 | — | — | |
| SCHEMBL10580762 | 0.72 | — | — | |
| SCHEMBL9168024 | 0.72 | — | — | |
| SCHEMBL4693644 | 0.70 | — | — | |
| SCHEMBL8471704 | 0.68 | — | — | |
| SCHEMBL3677731 | 0.68 | — | — | |
| SCHEMBL544913 | 0.68 | — | — | |
| SCHEMBL3784373 | 0.68 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10435418-B2 | Rapid and efficient bioorthogonal ligation reaction and boron-containing heterocycles useful in conjunction therewith | The Research Foundation for the State University o (US) | 2019-10-08 | — | — | US | disclosed |
| US-20180065993-A1 | RAPID AND EFFICIENT BIOORTHOGONAL LIGATION REACTION AND BORON-CONTAINING HETEROCYCLES USEFUL IN CONJUNCTION THEREWITH | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK | 2018-03-08 | — | — | US | disclosed |
| US-9758533-B2 | Rapid and efficient bioorthogonal ligation reaction and boron-containing heterocycles useful in conjunction therewith | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2017-09-12 | — | — | US | disclosed |
| EP-3134418-A1 | A RAPID AND EFFICIENT BIOORTHOGONAL LIGATION REACTION AND BORON-CONTAINING HETEROCYCLES USEFUL IN CONJUCTION THEREWITH | The Research Foundation for The State University of New York (US) | 2017-03-01 | — | — | EP | disclosed |
| US-20150329568-A1 | RAPID AND EFFICIENT BIOORTHOGONAL LIGATION REACTION AND BORON-CONTAINING HETEROCYCLES USEFUL IN CONJUNCTION THEREWITH | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-11-19 | — | — | US | disclosed |
| WO-2015164213-A1 | A RAPID AND EFFICIENT BIOORTHOGONAL LIGATION REACTION AND BORON-CONTAINING HETEROCYCLES USEFUL IN CONJUCTION THEREWITH | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2015-10-29 | — | — | WO | disclosed |
| US-9162999-B2 | Catalytic conversion of cellulose to fuels and chemicals using boronic acids | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2015-10-20 | — | — | US | disclosed |
| US-20130178617-A1 | CATALYTIC CONVERSION OF CELLULOSE TO FUELS AND CHEMICALS USING BORONIC ACIDS | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2013-07-11 | — | — | US | disclosed |
| EP-2365809-A1 | PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS | ARIAD Pharmaceuticals, Inc (US) | 2011-09-21 | — | — | EP | disclosed |
| WO-2010056311-A1 | PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS | ARIAD PHARMACEUTICALS, INC. (US) | 2010-05-20 | — | — | WO | disclosed |
| US-7038070-B2 | Preparation of preparing substituted indanones | BASELL POLYOLEFINE GMBH (DE) | 2006-05-02 | — | — | US | disclosed |
| US-6963017-B2 | Preparation of preparing substituted indanones | BASELL POLYOLEFINE GMBH (DE) | 2005-11-08 | — | — | US | disclosed |
| EP-0968158-B1 | METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM | BASELL POLYOLEFINE GMBH (DE) | 2005-08-10 | — | — | EP | disclosed |
| US-20050033076-A1 | Preparation of preparing substituted indanones | EQUISTAR CHEMICALS, LP | 2005-02-10 | — | — | US | disclosed |
| US-20030009046-A1 | Preparation of preparing substituted indanones | EQUISTAR CHEMICALS, LP | 2003-01-09 | — | — | US | disclosed |
| EP-0968158-A1 | METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM | Basell Polyolefine GmbH (DE) | 2000-01-05 | — | — | EP | disclosed |
| WO-1998040331-A1 | PREPARATION OF PREPARING SUBSTITUTED INDANONES | TARGOR GMBH (DE) | 1998-09-17 | — | — | WO | disclosed |