⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28153590 | 1.00 | — | — | |
| SCHEMBL13896143 | 1.00 | — | — | |
| SCHEMBL9679319 | 0.88 | TSHR (0.48) | — | |
| SCHEMBL19643118 | 0.88 | TSHR (0.48) | — | |
| Magnesium SCHEMBL8460788 | 0.86 | TSHR (0.46) | — | |
| Barium SCHEMBL10787198 | 0.86 | TSHR (0.46) | — | |
| Potassium SCHEMBL10629925 | 0.86 | TSHR (0.46) | — | |
| SCHEMBL10632086 | 0.86 | TSHR (0.46) | — | |
| SCHEMBL10789496 | 0.86 | TSHR (0.46) | — | |
| Calcium SCHEMBL10786902 | 0.86 | TSHR (0.46) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230227657-A1 | FLUORESCENT MACROMOLECULE AND USES THEREOF | QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) | 2023-07-20 | — | — | US | disclosed |
| CN-106674011-B | A method of indenone derivative is synthesized by dimethyl sulfoxide | 南京理工大学 | 2019-05-07 | — | — | CN | disclosed |
| US-9822307-B2 | Liquid crystalline medium and liquid crystal display | MERCK PATENT GMBH (DE) | 2017-11-21 | — | — | US | disclosed |
| US-8895117-B2 | Polymerisable compounds and the use thereof in liquid-crystal media and liquid-crystal displays | MERCK PATENT GMBH (DE) | 2014-11-25 | — | — | US | disclosed |
| WO-2014057780-A1 | COMPOUND HAVING FLUORINATED NAPHTHALENE STRUCTURE AND LIQUID CRYSTAL COMPOSITION OF SAID COMPOUND | DIC株式会社 (JP) | 2014-04-17 | — | — | WO | disclosed |
| EP-2132167-B1 | METHOD FOR THE PRODUCTION OF beta-KETONITRILES | BASF SE (DE) | 2013-12-25 | — | — | EP | disclosed |
| US-8501748-B2 | Method for the production of β-ketonitriles | BASF SE (DE) | 2013-08-06 | — | — | US | disclosed |
| US-20130005970-A1 | Method for the production of beta-ketonitriles | BASF SE (DE) | 2013-01-03 | — | — | US | disclosed |
| US-8309751-B2 | Method for the production of β-ketonitriles | BASF SE (DE) | 2012-11-13 | — | — | US | disclosed |
| US-20100105903-A1 | Method for the production of beta-ketonitriles | BASF SE (DE) | 2010-04-29 | — | — | US | disclosed |
| EP-2132167-A1 | METHOD FOR THE PRODUCTION OF -KETONITRILES | BASF SE (DE) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008107397-A1 | METHOD FOR THE PRODUCTION OF β-KETONITRILES | BASF SE (DE) | 2008-09-12 | — | — | WO | disclosed |
| US-5015473-A | Beta-lactamase inhibitors | PFIZER INC. (US) | 1991-05-14 | — | — | US | disclosed |