⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL27261908 | 0.95 | — | — | |
| Tetrahydrofuran SCHEMBL1539227 | 0.95 | — | — | |
| SCHEMBL30432886 | 0.94 | ALDH1A1 (1.00) | — | |
| Tetrahydrofuran SCHEMBL130914 | 0.94 | — | — | |
| Tetrahydrofuran SCHEMBL6364293 | 0.94 | ALDH1A1 (1.00) | — | |
| Tetrahydrofuran SCHEMBL1982618 | 0.94 | — | — | |
| SCHEMBL30466481 | 0.94 | ALDH1A1 (1.00) | — | |
| SCHEMBL9576477 | 0.94 | ALDH1A1 (1.00) | — | |
| SCHEMBL3455441 | 0.94 | ALDH1A1 (1.00) | — | |
| Tetrahydrofuran SCHEMBL6298732 | 0.94 | — | — |
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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110452203-A | A kind of preparation method of 1- oxo -1,3- dihydro-3-hydroxy benzofuran -5- formic acid | UNIV XINZHOU TEACHERS | 2019-11-15 | — | — | CN | claimed |
| CN-110330471-A | A kind of synthetic method of fenugreck lactone fragrance | 安徽华业香料股份有限公司 | 2019-10-15 | — | — | CN | claimed |
| CN-109666816-A | The preparation method of Carbon Nanotubes/Magnesiuum Matrix Composite | 河北工业大学 | 2019-04-23 | — | — | CN | claimed |
| CN-109232700-A | A kind of high-efficiency synthesis method of Altrenogest | 宁波三生生物科技有限公司 | 2019-01-18 | — | — | CN | claimed |
| CN-106397519-A | Preparation method of altrenogest | 天津市中升挑战生物科技有限公司 | 2017-02-15 | — | — | CN | claimed |
| CN-102617370-B | Preparation method of (S)-5-chloro-alpha-(cyclopropylacetylene)-2-(((4-methoxyl phenyl) methyl)amino)-alpha-(trifluoromethyl) phenylcarbinol | ZHEJIANG JIANGBEI PHARMACEUTICAL CO LTD | 2014-06-04 | — | — | CN | claimed |
| CN-103044473-A | Method for preparing cyclopropylboric acid | LIANHUA CHEMISTRY CO LTD DALIAN | 2013-04-17 | — | — | CN | claimed |
| CN-109111564-B | A kind of synthetic method for the polyolefine material that degree of branching is controllable | 上海交通大学 | 2019-11-19 | — | — | CN | disclosed |
| CN-107250130-B | Heterocyclic compound and pharmaceutical composition comprising it | BEYONDBIO株式会社 | 2019-11-08 | — | — | CN | disclosed |
| CN-110294699-A | A kind of perfluoroalkyl styrene and its application | 苏州大学 | 2019-10-01 | — | — | CN | disclosed |
| CN-110183480-A | Trimethyl silicane ethyl-acetylene is continuously synthesizing to system and is continuously synthesizing to method | 辽宁凯莱英医药化学有限公司 | 2019-08-30 | — | — | CN | disclosed |
| CN-109705172-A | The preparation method of heteronuclear metal complex and its cyclic carbonate ester of catalysis | 苏州大学 | 2019-05-03 | — | — | CN | disclosed |
| CN-109312027-A | Method and hydrocarbon soluble salt-like hydride catalysts for hydrogen mediated, salt-like hydride initiated anionic chain transfer polymerization and polymer distribution compositions produced therefrom | 雅宝公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-1074679-A | Its preparation of thiazolidine compound and the therepic use thereof that contain quinonyl | SANKYO CO (JP) | 1993-07-28 | — | — | CN | disclosed |
| CN-1051179-A | The synthetic method of aluminium magnesium hydride tetrahydrofuran compound | UNIV NANKAI (CN) | 1991-05-08 | — | — | CN | disclosed |
| US-4115482-A | PESTICIDES | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1978-09-19 | — | — | US | disclosed |
| US-4000327-A | BERRY FRUIT FOODSTUFFS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-12-28 | — | — | US | disclosed |
| US-3984579-A | Novel flavoring compositions and products containing isomer mixtures containing high proportions of 2-methyl-cis-3-pentenoic acid | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-10-05 | — | — | US | disclosed |
| US-3931306-A | Process for producing isomer mixtures containing high proportions of cis-2-methyl-3-pentenoic acid | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-01-06 | — | — | US | disclosed |
| US-3931293-A | Processes for producing cis alkyl-2-methyl-3-pentenoates and isomer mixtures containing high proportions of cis alkyl-2-methyl-3-pentenoates | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-01-06 | — | — | US | disclosed |