⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8964958 | 1.00 | — | — | |
| SCHEMBL4587273 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28311220 | 0.97 | TSHR (0.33) | — | |
| SCHEMBL197040 | 0.83 | — | — | |
| SCHEMBL18215044 | 0.83 | — | — | |
| SCHEMBL7699865 | 0.81 | — | — | |
| SCHEMBL686346 | 0.81 | — | — | |
| SCHEMBL5353586 | 0.79 | GPR84 (0.45) | — | |
| SCHEMBL8845886 | 0.79 | GPR84 (0.45) | — | |
| SCHEMBL5353579 | 0.79 | GPR84 (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 160 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113896643-B | Process for producing L-norvaline | 上海昶法新材料有限公司 | 2024-08-23 | — | — | CN | claimed |
| CN-113816964-B | Reversible ionic liquid for capturing carbon dioxide and synthesis method thereof | 中国科学院兰州化学物理研究所 | 2023-02-10 | — | — | CN | claimed |
| CN-217103654-U | Production device for synthesizing 2-hydroxy methyl valerate from cyanohydrin and methanol hydrochloride | 淄博鸿润新材料有限公司 | 2022-08-02 | — | — | CN | claimed |
| CN-113896643-A | Process for producing L-norvaline | 上海昶法新材料有限公司 | 2022-01-07 | — | — | CN | claimed |
| CN-112745220-A | Method for industrially synthesizing 2-hydroxy methyl valerate by using acrylonitrile byproduct hydrocyanic acid | 张善荣 | 2021-05-04 | — | — | CN | claimed |
| CN-108558700-A | A kind of synthetic method of 1,2- pentanediols | 潍坊伽玛化学有限公司 | 2018-09-21 | — | — | CN | claimed |
| CN-106365957-A | Preparation method of 1,2-pentanediol | 宁波博撷化学科技有限公司 | 2017-02-01 | — | — | CN | claimed |
| CN-100482641-C | Protected 3,5-dihydroxy-2, 2-dimethyl-valeronitriles for synthesis of epothilones and derivatives and method for preparaton and use thereof | SCHERING AG (DE) | 2009-04-29 | — | — | CN | claimed |
| CN-100352801-C | Synthesis method of L-n-valaine | XU WANG (CN) | 2007-12-05 | — | — | CN | claimed |
| CN-1538954-A | Protected 3,5-dihydroxy-2, 2-dimethyl-valeronitriles for synthesis of epothilones and derivatives and method for preparaton and use thereof | ���ֹɷݹ�˾ | 2004-10-20 | — | — | CN | claimed |
| US-20040133029-A1 | Manufacture of water-soluble beta-hydroxynitriles | RHODIA CHIREX, INC. | 2004-07-08 | — | — | US | claimed |
| EP-0510689-A1 | Hydrocyanation of pentenenitriles using cyanohydrins | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-10-28 | — | — | EP | claimed |
| US-5107012-A | Using an additive to promote dissociation of the cyanohydrin, a nickel complex catalyst and catalyst promoter; slurrying | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-04-21 | — | — | US | claimed |
| CN-119192025-A | Industrial preparation method and application of alpha-hydroxynitrile | 哈尔滨理工大学 | 2024-12-27 | — | — | CN | disclosed |
| CN-113896643-B | Process for producing L-norvaline | 上海昶法新材料有限公司 | 2024-08-23 | — | — | CN | disclosed |
| CN-118063321-A | Synthesis method of 2-hydroxy methyl valerate | 重庆市化工研究院有限公司 | 2024-05-24 | — | — | CN | disclosed |
| US-4486600-A | Process for the production of β-hydroxy-α-aminocarboxylic acids | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1984-12-04 | — | — | US | disclosed |
| US-4482760-A | HYDROGENATING A CYANOHYDRIN | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1984-11-13 | — | — | US | disclosed |
| EP-0072482-A2 | (Thiono)(dithio)-phosphoric-(phosphonic)-acid esters, process for their preparation and their use as pesticides | BAYER AG (DE) | 1983-02-23 | — | — | EP | disclosed |
| US-4057563-A | Preparation of dye cyanides | CHALKLEY LYMAN | 1977-11-08 | — | — | US | disclosed |