⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9511979 | 0.98 | CA12 (0.37) | — | |
| SCHEMBL5381237 | 0.92 | TSHR (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL9688440 | 0.90 | — | — | |
| SCHEMBL1042064 | 0.84 | TSHR (0.33) | — | |
| SCHEMBL5416973 | 0.81 | — | — | |
| SCHEMBL170051 | 0.79 | — | — | |
| SCHEMBL17333189 | 0.79 | CA12 (0.41) | — | |
| SCHEMBL3806564 | 0.79 | THRB (0.37) | — | |
| SCHEMBL23302194 | 0.77 | THRB (0.44) | — | |
| SCHEMBL10632891 | 0.77 | THRB (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116041216-A | Method for carrying out asymmetric C-H bond arylation reaction on amide compound | 浙江九洲药业股份有限公司 | 2023-05-02 | — | — | CN | claimed |
| CN-112778347-B | Synthetic method of boron nitrogen benzocarbazole derivative | 九江善水科技股份有限公司 | 2023-03-14 | — | — | CN | claimed |
| CN-112778347-A | Synthetic method of boron nitrogen benzocarbazole derivative | 九江善水科技股份有限公司 | 2021-05-11 | — | — | CN | claimed |
| CN-116041216-A | Method for carrying out asymmetric C-H bond arylation reaction on amide compound | 浙江九洲药业股份有限公司 | 2023-05-02 | — | — | CN | disclosed |
| CN-116041216-A | Method for carrying out asymmetric C-H bond arylation reaction on amide compound | 浙江九洲药业股份有限公司 | 2023-05-02 | — | — | CN | disclosed |
| CN-112778347-B | Synthetic method of boron nitrogen benzocarbazole derivative | 九江善水科技股份有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-112778347-B | Synthetic method of boron nitrogen benzocarbazole derivative | 九江善水科技股份有限公司 | 2023-03-14 | — | — | CN | disclosed |
| US-11072589-B2 | 1,2,4-triazole and preparation method therefor | SOOCHOW UNIVERSITY | 2021-07-27 | — | — | US | disclosed |
| CN-112778347-A | Synthetic method of boron nitrogen benzocarbazole derivative | 九江善水科技股份有限公司 | 2021-05-11 | — | — | CN | disclosed |
| CN-112778347-A | Synthetic method of boron nitrogen benzocarbazole derivative | 九江善水科技股份有限公司 | 2021-05-11 | — | — | CN | disclosed |
| US-20210024472-A1 | 1,2,4-TRIAZOLE AND PREPARATION METHOD THEREFOR | SOOCHOW UNIVERSITY (CN) | 2021-01-28 | — | — | US | disclosed |
| CN-107879911-B | Method for preparing aromatic ketone in water phase | 绍兴文理学院 | 2020-12-18 | — | — | CN | disclosed |
| CN-105377859-A | Substituted organofluoroborates as imaging agents | UNIV BRITISH COLUMBIA | 2016-03-02 | — | — | CN | disclosed |
| CN-103384672-A | N-substituted oxazinopteridines and oxazinopteridinones | TAKAEDA CHEMICAL IND LTD | 2013-11-06 | — | — | CN | disclosed |
| US-8574546-B2 | Substituted aryl-fluoroborates as imaging agents | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2013-11-05 | — | — | US | disclosed |
| US-20100254903-A1 | Substituted Aryl-Fluoroborates as Imaging Agents | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2010-10-07 | — | — | US | disclosed |
| WO-2009012596-A1 | SUBSTITUTED ARYL-FLUOROBORATES AS IMAGING AGENTS | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2009-01-29 | — | — | WO | disclosed |