⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1169064 | 0.95 | — | — | |
| Fluoride SCHEMBL19458344 | 0.91 | — | — | |
| Iodide SCHEMBL19458347 | 0.91 | — | — | |
| Bromide SCHEMBL19458438 | 0.91 | — | — | |
| Water SCHEMBL19458398 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL23478346 | 0.91 | — | — | |
| SCHEMBL30496483 | 0.84 | — | — | |
| Bicarbonate SCHEMBL30774952 | 0.81 | ACHE (0.40) | — | |
| SCHEMBL2141110 | 0.81 | — | — | |
| SCHEMBL2767461 | 0.81 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8759584-B2 | Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates | BAYER CROPSCIENCE AG (DE) | 2014-06-24 | — | — | US | disclosed |
| US-8759584-B2 | Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates | BAYER CROPSCIENCE AG (DE) | 2014-06-24 | — | — | US | disclosed |
| CN-101945879-B | Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates | BAYER CROPSCIENCE AG | 2013-08-14 | — | — | CN | disclosed |
| CN-101945879-B | Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates | BAYER CROPSCIENCE AG | 2013-08-14 | — | — | CN | disclosed |
| EP-2231679-B1 | SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES | BAYER CROPSCIENCE AG (DE) | 2011-11-16 | — | — | EP | disclosed |
| EP-2231679-B1 | SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES | BAYER CROPSCIENCE AG (DE) | 2011-11-16 | — | — | EP | disclosed |
| US-20100305317-A1 | SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES | BAYER CROPSCIENCE AG (DE) | 2010-12-02 | — | — | US | disclosed |
| US-20100305317-A1 | SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES | BAYER CROPSCIENCE AG (DE) | 2010-12-02 | — | — | US | disclosed |
| EP-2231679-A1 | SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES | Bayer CropScience AG (DE) | 2010-09-29 | — | — | EP | disclosed |
| EP-2231679-A1 | SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES | Bayer CropScience AG (DE) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009077059-A1 | SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES | BAYER CROPSCIENCE AG (DE) | 2009-06-25 | — | — | WO | disclosed |
| WO-2009077059-A1 | SYNTHESIS OF BIGUANIDINES AND TRIAZINES, AND BIGUANIDINO-ALUMINIUM COMPLEXES AS INTERMEDIATES | BAYER CROPSCIENCE AG (DE) | 2009-06-25 | — | — | WO | disclosed |
| EP-2070934-A1 | Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates | Bayer CropScience AG (DE) | 2009-06-17 | — | — | EP | disclosed |
| EP-2070934-A1 | Synthesis of biguanidines and triazines, and biguanidino-aluminium complexes as intermediates | Bayer CropScience AG (DE) | 2009-06-17 | — | — | EP | disclosed |