⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16046411 | 0.85 | TSHR (0.47) | — | |
| SCHEMBL910065 | 0.84 | CES1 (0.62) | — | |
| SCHEMBL4741014 | 0.82 | CES2 (0.43) | — | |
| SCHEMBL3009970 | 0.82 | CES2 (0.64) | — | |
| SCHEMBL16007022 | 0.80 | CES2 (0.65) | — | |
| SCHEMBL1088229 | 0.80 | CES2 (0.65) | — | |
| SCHEMBL3188212 | 0.80 | CES2 (0.65) | — | |
| SCHEMBL15708761 | 0.80 | CES2 (0.65) | — | |
| SCHEMBL53567 | 0.80 | CES2 (0.65) | — | |
| SCHEMBL7640351 | 0.80 | CES2 (0.65) | — |
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 215 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120004771-A | Method for producing organic sulfinate compound | 中国石油化工股份有限公司 | 2025-05-16 | — | — | CN | claimed |
| WO-2020002138-A1 | C5 OR C6 ACID ESTER-BASED CATALYST AND USE THEREOF IN A HYDROPROCESSING AND/OR HYDROCRACKING PROCESS | IFP Energies Nouvelles (FR) | 2020-01-02 | — | — | WO | claimed |
| EP-3488000-A1 | METHODS AND MATERIALS FOR BIOSYNTHESIZING MULTIFUNCTIONAL, MULTIVARIATE MOLECULES VIA CARBON CHAIN MODIFICATION | INVISTA Textiles (U.K.) Limited (GB) | 2019-05-29 | — | — | EP | claimed |
| WO-2018022633-A1 | METHODS AND MATERIALS FOR BIOSYNTHESIZING MULTIFUNCTIONAL, MULTIVARIATE MOLECULES VIA CARBON CHAIN MODIFICATION | INVISTA TEXTILES (U.K.) LIMITED (GB) | 2018-02-01 | — | — | WO | claimed |
| WO-2017029553-A2 | METHODS, CELLS AND REAGENTS FOR PRODUCTION OF ISOPRENE, DERIVATIVES AND INTERMEDIATES THEREOF | CONRADIE ALEX VAN ECK (GB) | 2017-02-23 | — | — | WO | claimed |
| US-20160282351-A1 | SALIVARY BIOMARKERS FOR CANCERS, METHODS AND DEVICES FOR ASSAYING THE SAME, AND METHODS FOR DETERMINING SALIVARY BIOMARKERS FOR CANCERS | SALIVATECH CO., LTD. (JP) | 2016-09-29 | — | — | US | claimed |
| EP-3064940-A1 | SALIVARY BIOMARKER FOR CANCER, METHOD AND DEVICE FOR ASSAYING SAME, AND METHOD FOR DETERMINING SALIVARY BIOMARKER FOR CANCER | Salivatech Co., Ltd. (JP) | 2016-09-07 | — | — | EP | claimed |
| US-9310354-B2 | Methods of predicting crop yield using metabolic profiling | SYNGENTA PARTICIPATIONS AG (CH) | 2016-04-12 | — | — | US | claimed |
| US-9074234-B2 | Method of predicting crop yield using metabolic profiling | SYNGENTA PARTICIPATIONS AG (CH) | 2015-07-07 | — | — | US | claimed |
| US-20140189903-A1 | METHODS OF PREDICTING YIELD IN PLANTS AND APPLICATIONS OF USE THEREOF | SYNGENTA PARTICIPATIONS AG (CH) | 2014-07-03 | — | — | US | claimed |
| US-20130139277-A1 | AGRICULTURAL BUSINESS APPLICATIONS AND METHODS OF USE | SYNGENTA PARTICIPATIONS AG (CH) | 2013-05-30 | — | — | US | claimed |
| WO-2013040099-A2 | SEPSIS PROGNOSIS BIOMARKERS | LANGLEY RAYMOND (US) | 2013-03-21 | — | — | WO | claimed |
| EP-2352732-B1 | 2,5-DIAMINO-SUBSTITUTED PYRIDO[4, 3-d]PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | MERCK PATENT GMBH (DE) | 2013-02-20 | — | — | EP | claimed |
| WO-2012122199-A1 | METHODS OF PREDICTING YIELD IN PLANTS AND APPLICATIONS OF USE THEREOF | SYNGENTA PARTICIPATIONS AG (CH) | 2012-09-13 | — | — | WO | claimed |
| US-20110237583-A1 | 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG | 2011-09-29 | — | — | US | claimed |
| EP-2352732-A1 | 2, 5-DIAMINO-SUBSTITUTED PYRIDO Ý4, 3-D¨PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | Merck Patent GmbH (DE) | 2011-08-10 | — | — | EP | claimed |
| WO-2010063352-A1 | 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER | MERCK PATENT GMBH (DE) | 2010-06-10 | — | — | WO | claimed |
| WO-2008116165-A9 | METHODS AND SYSTEMS OF DELIVERING MEDICATION VIA INHALATION | NEXT SAFETY INC (US) | 2009-06-11 | — | — | WO | claimed |
| WO-2008116165-A2 | METHODS AND SYSTEMS OF DELIVERING MEDICATION VIA INHALATION | NEXT SAFETY, INC. (US) | 2008-09-25 | — | — | WO | claimed |
| US-20080066741-A1 | METHODS AND SYSTEMS OF DELIVERING MEDICATION VIA INHALATION | HUNTER, CHARLES ERIC | 2008-03-20 | — | — | US | claimed |