⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1305942 | 0.78 | — | — | |
| SCHEMBL11747886 | 0.77 | KMT2A (0.62) | — | |
| SCHEMBL11747881 | 0.77 | KMT2A (0.62) | — | |
| SCHEMBL22192889 | 0.77 | KMT2A (0.62) | — | |
| SCHEMBL9417676 | 0.75 | KMT2A (0.67) | — | |
| SCHEMBL9417674 | 0.75 | KMT2A (0.67) | — | |
| SCHEMBL228318 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL228319 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL13079615 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL1785611 | 0.73 | — | — |
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 254 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109422632-B | Method for preparing isopentenal by catalytic oxidation of isopentenol | 中国科学院大连化学物理研究所 | 2021-11-09 | — | — | CN | claimed |
| EP-2763987-B1 | HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE AS FUNGICIDALS | BAYER CROPSCIENCE AG (DE) | 2018-07-18 | — | — | EP | claimed |
| CN-106188418-B | A kind of preparation method of amphoteric polycarboxylate water-reducer | 江苏中铁奥莱特新材料股份有限公司 | 2018-07-17 | — | — | CN | claimed |
| EP-2763993-B1 | HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE | BAYER IP GMBH (DE) | 2017-04-19 | — | — | EP | claimed |
| US-9023844-B2 | Heterocyclylpyri (mi) dinylpyrazole as fungicidals | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-05-05 | — | — | US | claimed |
| US-20140364456-A1 | HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-12-11 | — | — | US | claimed |
| US-20140256677-A1 | HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-09-11 | — | — | US | claimed |
| EP-2763987-A1 | HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS | Bayer Intellectual Property GmbH (DE) | 2014-08-13 | — | — | EP | claimed |
| EP-2763993-A1 | HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE | Bayer Intellectual Property GmbH (DE) | 2014-08-13 | — | — | EP | claimed |
| WO-2013050434-A1 | HETEROCYCLYLPYRI(MI)DINYLPYRAZOLE | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-04-11 | — | — | WO | claimed |
| WO-2013050437-A1 | HETEROCYCLYLPYRI (MI) DINYLPYRAZOLE AS FUNGICIDALS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-04-11 | — | — | WO | claimed |
| CN-101239936-B | Antineoplastic sulfur-containing alkannin and naphthoquinones derivatives | UNIV SHANGHAI JIAOTONG | 2012-01-04 | — | — | CN | claimed |
| CN-101728526-B | Lithium ion battery cathode material and preparation method thereof | UNIV BEIJING CHEMICAL | 2011-11-09 | — | — | CN | claimed |
| CN-101728526-A | Lithium ion battery cathode material and preparation method thereof | UNIV BEIJING CHEMICAL | 2010-06-09 | — | — | CN | claimed |
| CN-101239936-A | Antineoplastic sulfur-containing alkannin and naphthoquinones derivatives | UNIV SHANGHAI JIAOTONG (CN) | 2008-08-13 | — | — | CN | claimed |
| JP-57072933-A | — | — | None | — | — | JP | disclosed |
| JP-58162547-A | — | — | None | — | — | JP | disclosed |
| JP-S5772933-A | POLYPRENYLKETONE DERIVATIVE AND ITS PREPARATIO | AGENCY OF IND SCIENCE & TECHNOL | 1982-05-07 | — | — | JP | disclosed |
| US-4222963-A | Substituted propargyl alcohols, allylic alcohols and unsaturated ketones, and methods for the production thereof | KURARAY CO., LTD. (JP) | 1980-09-16 | — | — | US | disclosed |
| US-4179579-A | PERFUMES | KURARAY CO., LTD. (JP) | 1979-12-18 | — | — | US | disclosed |