⚠ 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-Oxoisohexanoate SCHEMBL18302256 | 1.00 | CA2 (0.52) | — | |
| 2-Oxoisohexanoate SCHEMBL6845538 | 0.97 | CA2 (0.50) | — | |
| 2-Oxoisohexanoate SCHEMBL2224962 | 0.97 | CA2 (0.50) | — | |
| 2-Oxoisohexanoate SCHEMBL4364799 | 0.97 | CA2 (0.50) | — | |
| 2-Oxoisohexanoate SCHEMBL7278860 | 0.97 | CA2 (0.50) | — | |
| 2-Oxoisohexanoate SCHEMBL5160502 | 0.94 | CA2 (0.48) | — | |
| 2-Oxoisohexanoate SCHEMBL28052970 | 0.92 | ALDH1A1 (0.50) | — | |
| 2-Oxoisohexanoate SCHEMBL31717986 | 0.89 | CA2 (0.44) | — | |
| 2-Oxoisohexanoate SCHEMBL5606890 | 0.87 | SLC7A5 (0.44) | — | |
| 2-Oxoisohexanoate SCHEMBL5606991 | 0.87 | OR51E2 (0.48) | — |
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
Appears in 5134 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3869192-B1 | METHOD FOR QUANTITATIVE DETECTION OF VARIOUS METABOLITES IN BIOLOGICAL SAMPLE | HUMAN METABOLOMICS INST INC (CN) | 2026-05-13 | — | — | EP | claimed |
| US-20260124165-A1 | COMPOSITIONS COMPRISING CREATINE FOR USE IN TELOMERE LENGTHENING | OSTOJIC SERGEJ (RS) | 2026-05-07 | — | — | US | claimed |
| US-20260076969-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 2026-03-19 | — | — | US | claimed |
| US-12502421-B2 | Engineered leucine decarboxylases | SYNTIS BIO, INC. (US) | 2025-12-23 | — | — | US | claimed |
| US-20250258146-A1 | QUANTITATIVE DETECTION METHOD OF MULTIPLE METABOLITES IN BIOLOGICAL SAMPLE AND METABOLIC CHIP | HUMAN METABOLOMICS INSTITUTE INC. (CN) | 2025-08-14 | — | — | US | claimed |
| US-20250244332-A1 | METHODS FOR DIAGNOSING LEPTOMININGEAL METASTASIS | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. | 2025-07-31 | — | — | US | claimed |
| US-12320798-B2 | Diagnostic methods, therapeutic agents and uses thereof | METABOLON, INC. (US) | 2025-06-03 | — | — | US | claimed |
| CN-120005792-A | Alpha-ketoisohexide production strain, construction method and application thereof | 天津科技大学 | 2025-05-16 | — | — | CN | claimed |
| CN-120005847-A | Alpha-hydroxy-beta-keto acid synthase for catalyzing alpha-keto acid coupling reaction | 北京大学 | 2025-05-16 | — | — | CN | claimed |
| EP-3773013-B1 | INSULIN CONTROL IN OVERWEIGHT OR OBESE ADULT DURING LIFE TIME INTERVENTION | NUTRICIA NV (NL) | 2025-04-30 | — | — | EP | claimed |
| US-4518692-A | ALPHA-KETO ACIDS, L-ASPARTIC ACID, TRANSAMINASE | GENETICS INSTITUTE, INC. (US) | 1985-05-21 | — | — | US | claimed |
| EP-0135846-A2 | Production of L-amino acids by transamination | GENETICS INSTITUTE, INC. (US) | 1985-04-03 | — | — | EP | claimed |
| EP-0130288-A2 | Microbiologically prepared D-2-hydroxy-4-methylpentanoic-acid dehydrogenase, process for its production and its use | Degussa Aktiengesellschaft (DE) | 1985-01-09 | — | — | EP | claimed |
| EP-0103210-A2 | L-2-hydroxy-4-methylpentanoic acid dehydrogenase, process for its production and its use | Degussa Aktiengesellschaft (DE) | 1984-03-21 | — | — | EP | claimed |
| US-4352814-A | REACTION PRODUCT WITH ALPHA-KETO ACID | THE JOHNS HOPKINS UNIVERSITY (US) | 1982-10-05 | — | — | US | claimed |
| US-4326031-A | REDUCTION | DEGUSSA AG (DE) | 1982-04-20 | — | — | US | claimed |
| US-4304858-A | Process for the continuous enzymatic change of water soluble α-ketocarboxylic acids into the corresponding amino acids | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1981-12-08 | — | — | US | claimed |
| US-4229533-A | CULTIVATING NOCARDIA IN PRESENCE OF LEVCINE, ALPHA-KETOISOCAPROIC ACID OR DERIVATIVES | TAKECA CHEMICAL INDUSTRIES, LTD. (JP) | 1980-10-21 | — | — | US | claimed |
| US-4100293-A | Treatment of hepatic disorders with therapeutic compositions comprising keto analogs of essential amino acids | THE JOHNS HOPKINS UNIVERSITY (US) | 1978-07-11 | — | — | US | claimed |
| US-4076745-A | Process for calcium salts α-ketocarboxylic acids | SYNTEX (U.S.A.) INC. (US) | 1978-02-28 | — | — | US | claimed |