⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2155972 | 0.81 | CES2 (1.00) | — | |
| SCHEMBL15233 | 0.81 | CES2 (1.00) | — | |
| SCHEMBL181841 | 0.81 | ALDH1A1 (0.74) | — | |
| SCHEMBL30359248 | 0.80 | CES2 (0.62) | — | |
| SCHEMBL4031476 | 0.79 | — | — | |
| SCHEMBL24446 | 0.79 | — | — | |
| SCHEMBL8199604 | 0.79 | CES2 (0.95) | — | |
| SCHEMBL11448058 | 0.79 | CES2 (0.95) | — | |
| Ammonia Solution, Strong SCHEMBL11456969 | 0.79 | CES2 (0.95) | — | |
| SCHEMBL3811314 | 0.79 | CES2 (0.68) | — |
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 439 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112512529-B | Cyclopentenepurine derivative or salt thereof | 富士胶片株式会社 | 2024-06-18 | — | — | CN | claimed |
| CN-112851749-A | alpha-amino-N-substituted amide compounds, pharmaceutical compositions containing the same and their use in antibacterials | 中国科学院上海药物研究所 | 2021-05-28 | — | — | CN | claimed |
| US-20200390100-A1 | SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AG (DE) | 2020-12-17 | — | — | US | claimed |
| EP-3728214-A1 | SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES | Bayer Aktiengesellschaft (DE) | 2020-10-28 | — | — | EP | claimed |
| CN-111727185-A | Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances | 拜耳公司 | 2020-09-29 | — | — | CN | claimed |
| US-20200079765-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER AKTIENGESELLSCHAFT (DE) | 2020-03-12 | — | — | US | claimed |
| EP-3558975-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | Bayer CropScience Aktiengesellschaft (DE) | 2019-10-30 | — | — | EP | claimed |
| WO-2018114596-A1 | SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-06-28 | — | — | WO | claimed |
| US-20160185743-A1 | 15-Oxospiramilactone Derivatives, Preparation Method and Uses Thereof | CENTER FOR EXCELLENCE IN MOLECULAR CELL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) | 2016-06-30 | — | — | US | claimed |
| US-20150322094-A1 | USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2015-11-12 | — | — | US | claimed |
| EP-0180188-A2 | A composition for increasing the anti-cancer activity of an anti-cancer compound | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1986-05-07 | — | — | EP | claimed |
| US-4451473-A | 3,7-Diazabicyclo [3.3.1] nonanes having anti-arrhythmic activity | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1984-05-29 | — | — | US | claimed |
| EP-0021000-B1 | SUBSTITUTED ACETOPHENONES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-02-22 | — | — | EP | claimed |
| US-4410522-A | BACTERICIDES | TOYAMA CHEMICAL CO., LTD. (JP) | 1983-10-18 | — | — | US | claimed |
| US-4325863-A | POLYMERS | SANDOZ LTD. (CH) | 1982-04-20 | — | — | US | claimed |
| EP-0021000-A2 | Substituted acetophenones, their preparation and pharmaceutical compositions containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-01-07 | — | — | EP | claimed |
| WO-1980001566-A1 | BENZOFURAN-2-ONIC OR INDOLIN-2-ONIC COMPOUNDS AS STABILIZERS OF POLYMERS | SANDOZ AG (CH) | 1980-08-07 | — | — | WO | claimed |
| US-4129730-A | BACTERICIDES | TOYAMA CHEMICAL CO., LTD. (JP) | 1978-12-12 | — | — | US | claimed |
| US-4116241-A | FOR CONTROLLED ORAL ADMINISTRATION OF DRUG | ALZA CORPORATION (US) | 1978-09-26 | — | — | US | claimed |
| US-4086423-A | CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND | MERCK & CO., INC. (US) | 1978-04-25 | — | — | US | claimed |