⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16488207 | 0.70 | — | — | |
| SCHEMBL472183 | 0.70 | — | — | |
| SCHEMBL10818041 | 0.70 | — | — | |
| SCHEMBL322832 | 0.70 | ALDH1A1 (1.00) | — | |
| SCHEMBL23620 | 0.70 | — | — | |
| SCHEMBL852140 | 0.70 | — | — | |
| SCHEMBL1331930 | 0.70 | — | — | |
| SCHEMBL852156 | 0.70 | — | — | |
| SCHEMBL20661241 | 0.70 | ALDH1A1 (1.00) | — | |
| SCHEMBL852141 | 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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2711361-B1 | NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE | NIPPON SODA CO (JP) | 2016-06-29 | — | — | EP | disclosed |
| CN-103582633-B | Nitrogen-containing heterocyclic compound and agricultural/horticultural bactericide | NIPPON SODA CO.,LTD. (JP) | 2016-01-20 | — | — | CN | disclosed |
| US-9060517-B2 | Nitrogenated heterocyclic compound and agricultural or horticultural fungicide | NIPPON SODA CO., LTD. (JP) | 2015-06-23 | — | — | US | disclosed |
| CN-104447206-A | Preparation method of 2-methyl-2-propenyl-1-ol | SHANGHAI CHENGJIE INDUSTRY CO LTD | 2015-03-25 | — | — | CN | disclosed |
| CN-104447206-A | Preparation method of 2-methyl-2-propenyl-1-ol | SHANGHAI CHENGJIE INDUSTRY CO LTD | 2015-03-25 | — | — | CN | disclosed |
| CN-102844304-B | Nitrogen-containing heterocyclic compound and agricultural/horticultural bactericide | NIPPON SODA CO | 2014-12-31 | — | — | CN | disclosed |
| US-8772200-B2 | Nitrogen-containing heterocyclic compound and agricultural fungicide | NIPPON SODA CO., LTD. (JP) | 2014-07-08 | — | — | US | disclosed |
| EP-2711361-A1 | NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE | Nippon Soda Co., Ltd. (JP) | 2014-03-26 | — | — | EP | disclosed |
| US-20140073792-A1 | NITROGENATED HETEROCYCLIC COMPOUND AND AGRICULTURAL OR HORTICULTURAL FUNGICIDE | NIPPON SODA CO., LTD. (JP) | 2014-03-13 | — | — | US | disclosed |
| CN-103582633-A | Nitrogen-containing heterocyclic compound and agricultural/horticultural bactericide | NIPPON SODA CO | 2014-02-12 | — | — | CN | disclosed |
| CN-102844304-A | Nitrogen-containing heterocyclic compound and agricultural/horticultural bactericide | NIPPON SODA CO (JP) | 2012-12-26 | — | — | CN | disclosed |
| US-20120289702-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL FUNGICIDE | NIPPON SODA CO., LTD. (JP) | 2012-11-15 | — | — | US | disclosed |
| EP-2522658-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL/HORTICULTURAL GERMICIDE | Nippon Soda Co., Ltd. (JP) | 2012-11-14 | — | — | EP | disclosed |
| US-20100035857-A1 | ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS | MERCK SHARP & DOHME CORP. | 2010-02-11 | — | — | US | disclosed |
| EP-2124549-A1 | ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS | Merck & Co., Inc. (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008085300-A1 | ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS | MERCK & CO., INC. (US) | 2008-07-17 | — | — | WO | disclosed |
| CN-1246391-C | Self-adhesion addition cross-linked siloxane composition | WACKER CHEMIE GMBH (DE) | 2006-03-22 | — | — | CN | disclosed |
| CN-1468908-A | Self-adhesion addition cross-linked siloxane composition | �Ϻ���ͨ��ѧ | 2004-01-21 | — | — | CN | disclosed |
| CN-1005712-B | Composites containing neoalkoxy organotitanates or zirconates | 肯里奇石油化学公司 | 1989-11-08 | — | — | CN | disclosed |
| CN-85104987-A | The mixture that contains new alkoxyl group organic titanate and organic zirconium acid esters | — | 1986-11-19 | — | — | CN | disclosed |