⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3490802 | 1.00 | — | — | |
| SCHEMBL918816 | 1.00 | TP53 (0.44) | — | |
| SCHEMBL60935 | 1.00 | — | — | |
| Alanine SCHEMBL15566103 | 0.89 | SLC7A5 (0.42) | — | |
| SCHEMBL7049078 | 0.84 | TP53 (0.33) | — | |
| SCHEMBL4715248 | 0.83 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL6631205 | 0.80 | — | — | |
| SCHEMBL6649754 | 0.76 | TP53 (0.47) | — | |
| SCHEMBL18168769 | 0.76 | TP53 (0.47) | — | |
| SCHEMBL12427680 | 0.76 | TP53 (0.47) | — |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001077366-A1 | POSITIVE SELECTION METHOD, COMPOUNDS, HOST CELLS AND USES THEREOF | CUBIST PHARMACEUTICALS, INC. (US) | 2001-10-18 | — | — | WO | claimed |
| US-20220142948-A1 | COMPOSITIONS AND METHODS FOR MODULATING METABOLIC REGULATORS OF T CELL PATHOGENICITY | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2022-05-12 | — | — | US | disclosed |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| US-11060079-B2 | Methods and microorganisms for producing flavors and fragrance chemicals | ARDRA INC. (CA) | 2021-07-13 | — | — | US | disclosed |
| EP-2463654-B1 | Compositions and methods for modeling saccharomyces cerevisiae metabolism | UNIV CALIFORNIA (US) | 2020-06-03 | — | — | EP | disclosed |
| US-20190177713-A1 | METHODS AND MICROORGANISMS FOR PRODUCING FLAVORS AND FRAGRANCE CHEMICALS | ARDRA INC. (CA) | 2019-06-13 | — | — | US | disclosed |
| EP-3478848-A2 | METHODS AND MICROORGANISMS FOR PRODUCING FLAVORS AND FRAGRANCE CHEMICALS | Ardra Bio Inc. (US) | 2019-05-08 | — | — | EP | disclosed |
| US-10000770-B2 | Methods of expressing products in mammalian cells | INTREXON CEU, INC. (US) | 2018-06-19 | — | — | US | disclosed |
| US-20180052161-A1 | BIOMARKERS FOR MALARIA DIAGNOSIS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) | 2018-02-22 | — | — | US | disclosed |
| WO-2018005806-A2 | METHODS AND MICROORGANISMS FOR PRODUCING FLAVORS AND FRAGRANCE CHEMICALS | ARDRA BIO INC. (US) | 2018-01-04 | — | — | WO | disclosed |
| US-20110246081-A1 | Metabolomics-Based Identification of Disease-Causing Agents | GEORGIA TECH RESEARCH CORPORATION (US) | 2011-10-06 | — | — | US | disclosed |
| WO-2011034397-A2 | METHOD FOR PREDICTING DRUG TARGETS AND SCREENING FOR DRUGS FOR PATHOGENIC MICROORGANISMS USING ESSENTIAL METABOLITES | 한국과학기술원 (KR) | 2011-03-24 | — | — | WO | disclosed |
| US-20100291644-A1 | PROCESS FOR PREPARING METHACRYLIC ACID OR METHACRYLIC ESTERS | EVONIK ROEHM GMBH (DE) | 2010-11-18 | — | — | US | disclosed |
| US-20100280803-A1 | Compositions and Methods for Modeling Saccharomyces cerevisiae Metabolism | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2010-11-04 | — | — | US | disclosed |
| EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |
| WO-2010098865-A1 | MAMMALIAN CELL LINE MODELS AND RELATED METHODS | GT LIFE SCIENCES, INC. (US) | 2010-09-02 | — | — | WO | disclosed |
| US-7751981-B2 | Articles of manufacture and methods for modeling Saccharomyces cerevisiae metabolism | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-07-06 | — | — | US | disclosed |
| US-20100068773-A1 | MICROBIOLOGICAL PRODUCTION OF 3-HYDROXYISOBUTYRIC ACID | EVONIK ROEHM GMBH (DE) | 2010-03-18 | — | — | US | disclosed |
| US-20090186358-A1 | Pathway Analysis of Cell Culture Phenotypes and Uses Thereof | WYETH (US) | 2009-07-23 | — | — | US | disclosed |
| WO-2009052186-A1 | METABOLOMICS-BASED IDENTIFICATION OF DISEASE-CAUSING AGENTS | GEORGIA TECH RESEARCH CORPORATION (US) | 2009-04-23 | — | — | WO | disclosed |