⚠ 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 | |
|---|---|---|---|---|
| Dalapon SCHEMBL11450936 | 0.92 | TSHR (0.52) | — | |
| SCHEMBL1131819 | 0.81 | — | — | |
| Citric Acid SCHEMBL7915515 | 0.78 | ALDH1A1 (0.75) | — | |
| SCHEMBL11042733 | 0.77 | HMGCR (0.57) | — | |
| SCHEMBL1708046 | 0.77 | — | — | |
| SCHEMBL9421510 | 0.77 | — | — | |
| Methyl Alcohol SCHEMBL1615268 | 0.75 | HMGCR (0.48) | — | |
| SCHEMBL10709840 | 0.75 | — | — | |
| SCHEMBL1132145 | 0.75 | — | — | |
| SCHEMBL2706813 | 0.73 | ALDH1A1 (0.45) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110072842-B | Molecules having pesticidal utility, and intermediates, compositions and methods related thereto | 科迪华农业科技有限责任公司 | 2024-02-02 | — | — | CN | disclosed |
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| CN-112204147-A | Cpf 1-based plant transcription regulatory system | 科沃施种子欧洲股份两合公司 | 2021-01-08 | — | — | CN | disclosed |
| CN-112105738-A | Targeted transcriptional regulation using synthetic transcription factors | 科沃施种子欧洲股份两合公司 | 2020-12-18 | — | — | CN | disclosed |
| CN-110072842-A | Molecules having pesticidal utility, and intermediates, compositions and methods related thereto | 美国陶氏益农公司 | 2019-07-30 | — | — | CN | disclosed |
| WO-2018065930-A1 | C-3 TRITERPENONE WITH C-17 REVERSE AMIDE DERIVATIVES AS HIV INHIBITORS | HETERO LABS LIMITED (IN) | 2018-04-12 | — | — | WO | disclosed |
| US-9283199-B2 | Halogenated aliphatic carboxylic acids, oligomers and/or polymers thereof and their use in devitalizing external and internal neoplasms | CIMAS LIMITED (CY) | 2016-03-15 | — | — | US | disclosed |
| US-20160067198-A1 | HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS | CIMAS LIMITED (CY) | 2016-03-10 | — | — | US | disclosed |
| US-8653305-B2 | Compound having S1P receptor binding potency and use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2014-02-18 | — | — | US | disclosed |
| CN-102695503-A | Halogenated aliphatic carboxylic acids, oligomers and/or polymers thereof and their use for inactivating external and internal neoplasias | MARDI MEDICINES LTD | 2012-09-26 | — | — | CN | disclosed |
| EP-2440198-A2 | HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS | Mardi Medicines Ltd. (IL) | 2012-04-18 | — | — | EP | disclosed |
| US-20120064060-A1 | COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-03-15 | — | — | US | disclosed |
| US-8039674-B2 | Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents | ONO PHARMACEUTICAL CO., LTD. (JP) | 2011-10-18 | — | — | US | disclosed |
| US-20110052641-A1 | HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS | MARDI MEDICINES LTD. (IL) | 2011-03-03 | — | — | US | disclosed |
| WO-2010143188-A2 | HALOGENATED ALIPHATIC CARBOXYLIC ACIDS, OLIGOMERS AND/OR POLYMERS THEREOF AND THEIR USE IN DEVITALIZING EXTERNAL AND INTERNAL NEOPLASMS | MARDI MEDICINES LTD. (IL) | 2010-12-16 | — | — | WO | disclosed |
| US-20080207584-A1 | Compound Having S1P Receptor Binding Potency and Use Thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-08-28 | — | — | US | disclosed |
| EP-1760071-A1 | COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-03-07 | — | — | EP | disclosed |
| EP-0074259-B1 | CATALYTIC EPOXIDATION OF OLEFINS | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1985-07-17 | — | — | EP | disclosed |
| US-4476314-A | Process for producing olefin oxides | MITSUBISHI GAS CHEMICAL CO., INC. (JP) | 1984-10-09 | — | — | US | disclosed |
| EP-0074259-A1 | Catalytic epoxidation of olefins | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1983-03-16 | — | — | EP | disclosed |