⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11173116 | 0.97 | — | — | |
| SCHEMBL1033587 | 0.87 | — | — | |
| SCHEMBL243671 | 0.87 | — | — | |
| SCHEMBL16198150 | 0.86 | FFAR3 (0.32) | — | |
| Bromide SCHEMBL11813561 | 0.84 | — | — | |
| SCHEMBL1421 | 0.84 | CYP2C19 (0.42) | — | |
| SCHEMBL1477910 | 0.84 | CYP2C19 (0.42) | — | |
| Hydrochloric Acid SCHEMBL11815237 | 0.84 | — | — | |
| SCHEMBL6917012 | 0.82 | CYP2C19 (0.41) | — | |
| Hydrochloric Acid SCHEMBL11815475 | 0.82 | CYP2C19 (0.41) | — |
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 806 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3241829-B1 | HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2020-12-23 | — | — | EP | claimed |
| EP-2921485-B1 | ISOXAZOLE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2018-07-18 | — | — | EP | claimed |
| EP-2921484-B1 | OXAZOLE DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2018-07-18 | — | — | EP | claimed |
| EP-2921495-B1 | HETEROARYLPIPERIDINE AND HETEROARYLPIPERAZINE DERIVATIVES AS FUNGICIDES | BAYER IP GMBH (DE) | 2018-03-28 | — | — | EP | claimed |
| US-9924721-B2 | Malonic ester derivatives of heteroarylpiperidines and -piperazines as fungicides | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-03-27 | — | — | US | claimed |
| EP-3013821-B1 | PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AG (DE) | 2018-03-14 | — | — | EP | claimed |
| US-9717243-B2 | Piperidinecarboxylic acid derivatives as fungicides | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-08-01 | — | — | US | claimed |
| US-20160198713-A1 | Malonic ester derivatives of heteroarylpiperidines and -piperazines as fungicides | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-07-14 | — | — | US | claimed |
| EP-3039023-A1 | MALONIC ESTER DERIVATIVES OF HETEROARYLPIPERIDINES AND -PIPERAZINES AS FUNGICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2016-07-06 | — | — | EP | claimed |
| US-20160135461-A1 | PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-05-19 | — | — | US | claimed |
| EP-1989944-B1 | Substituted cyclopropane carbolic acid(3-methyl-cyclohexyl)amides as taste substances | SYMRISE GMBH & CO KG (DE) | 2010-06-02 | — | — | EP | claimed |
| US-20080292763-A1 | Substituted Cyclopropanecarboxylic acid (3-methyl-cyclohexyl)amide as flavoring substance | SYMRISE GMBH & CO. KG (DE) | 2008-11-27 | — | — | US | claimed |
| EP-0312124-A2 | Process for the preparation of optically-active cyanomethyl esters | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-04-19 | — | — | EP | claimed |
| US-4723027-A | TREATING AN ALDEHYDE WITH HYDROGEN CYANIDE IN THE PRESENCE OF CYCLO(D-PHENYLALANYL-D-HISTIDINE)CATALYST | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-02-02 | — | — | US | claimed |
| EP-0112133-B1 | 5-PHENYLETHENYLBENZIMIDAZOLES | SMITHKLINE BECKMAN CORPORATION (US) | 1987-10-21 | — | — | EP | claimed |
| EP-0112133-A1 | 5-Phenylethenylbenzimidazoles | SMITHKLINE BECKMAN CORPORATION (US) | 1984-06-27 | — | — | EP | claimed |
| EP-0109681-A2 | process for the preparation of optically-active cyanomethyl esters | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-05-30 | — | — | EP | claimed |
| EP-0007070-B1 | 2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS HAVING DOPAMINE RECEPTOR BLOCKING ACTIVITY | SMITHKLINE BECKMAN CORPORATION (US) | 1983-01-19 | — | — | EP | claimed |
| US-4211727-A | CADMIUM BOROHYDRIDE COMPLEX AS REDUCING AGENT | SHELL OIL COMPANY (US) | 1980-07-08 | — | — | US | claimed |
| EP-0007070-A1 | 2,3,4,5-Tetrahydro-1H-3-Benzazepines, process for their production and pharmaceutical compositions having dopamine receptor blocking activity | SMITHKLINE BECKMAN CORPORATION (US) | 1980-01-23 | — | — | EP | claimed |