⚠ 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 | |
|---|---|---|---|---|
| 2-Oxoisovalerate SCHEMBL1462512 | 0.96 | TP53 (0.41) | — | |
| 2-Oxoisovalerate SCHEMBL42329 | 0.96 | — | — | |
| 2-Oxoisovalerate SCHEMBL30552298 | 0.96 | — | — | |
| 2-Oxoisovalerate SCHEMBL7277489 | 0.93 | — | — | |
| 2-Oxoisovalerate SCHEMBL7647463 | 0.93 | — | — | |
| 2-Oxoisovalerate SCHEMBL3782996 | 0.93 | — | — | |
| 2-Oxoisovalerate SCHEMBL6846904 | 0.93 | — | — | |
| 2-Oxoisovalerate SCHEMBL32667358 | 0.93 | TP53 (0.39) | — | |
| 2-Oxoisovalerate SCHEMBL31691736 | 0.93 | — | — | |
| 2-Oxoisovalerate SCHEMBL28016647 | 0.93 | — | — |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108384210-A | A kind of application of pyruvates and polydactyl acid | 中国科学院长春应用化学研究所 | 2018-08-10 | — | — | CN | claimed |
| CN-105580804-A | Insecticide for anopheles sinensis | YANTAI MILUOKA CHEMICAL TECH CO LTD | 2016-05-18 | — | — | CN | claimed |
| WO-2009018368-A1 | COMBINATION TREATMENT OF NMDA (N-METHYL-D-ASPARTATE)-ENHANCER, GLYCINE TRANSPORTER INHIBITOR, D-AMINO ACID OXIDASE INHIBITOR (DAAOI) FOR NEUROPSYCHIATRIC DISORDERS | LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) | 2009-02-05 | — | — | WO | claimed |
| US-5500668-A | INK JET PRINTING | XEROX CORPORATION (US) | 1996-03-19 | — | — | US | claimed |
| CN-109371070-B | Method for high yield of alpha-ketoisovaleric acid | 江南大学 | 2024-05-28 | — | — | CN | disclosed |
| CN-116814575-A | L-aspartate dehydrogenase and application thereof | 江南大学 | 2023-09-29 | — | — | CN | disclosed |
| US-11529342-B2 | Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical | LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) | 2022-12-20 | — | — | US | disclosed |
| EP-3006023-B1 | SORBIC ACID AND DERIVATIVES THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL | LOS ANGELES BIOMEDICAL RES INST HARBOR UCLA MEDICAL CT (US) | 2019-06-26 | — | — | EP | disclosed |
| US-20190151301-A1 | SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL | LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) | 2019-05-23 | — | — | US | disclosed |
| EP-3006024-B1 | BENZOIC ACID OR SALTS THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL | LOS ANGELES BIOMEDICAL RES INST HARBOR UCLA MEDICAL CT (US) | 2019-03-20 | — | — | EP | disclosed |
| US-10149845-B2 | Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical | LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) | 2018-12-11 | — | — | US | disclosed |
| CN-108570438-A | Promote method and the transformation bacterium of Klebsiella pneumoniae production α-ketoisovaleric acid | 中国科学院上海高等研究院 | 2018-09-25 | — | — | CN | disclosed |
| US-6350795-B1 | ACOUSTIC PHASE-CHANGE CONDUCTIVE INK CONTAINING LOW MOLECULAR WEIGHT OXYALKYLENE SEGMENTS COMPLEXED WITH UREA DERIVATIVES | XEROX CORPORATION | 2002-02-26 | — | — | US | disclosed |
| US-6096125-A | Ink compositions | XEROX CORPORATION (US) | 2000-08-01 | — | — | US | disclosed |
| US-5500668-A | INK JET PRINTING | XEROX CORPORATION (US) | 1996-03-19 | — | — | US | disclosed |
| US-5260277-A | Cell receptor antagonists | TANABE SEIYAKU CO., LTD. (JP) | 1993-11-09 | — | — | US | disclosed |
| WO-1993008823-A1 | GUANIDINYL AND RELATED CELL ADHESION MODULATION COMPOUNDS | TANABE SEIYAKU CO., LTD. (JP) | 1993-05-13 | — | — | WO | disclosed |
| US-4472380-A | CARBOXYALKYL DIPEPTIDE DERIVATIVES | MERCK & CO., INC. (US) | 1984-09-18 | — | — | US | disclosed |
| US-4374829-A | Aminoacid derivatives as antihypertensives | MERCK & CO., INC. (US) | 1983-02-22 | — | — | US | disclosed |
| EP-0012401-A1 | Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them | MERCK & CO. INC. (US) | 1980-06-25 | — | — | EP | disclosed |