⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL188105 | 1.00 | — | — | |
| SCHEMBL3860250 | 1.00 | — | — | |
| SCHEMBL8768172 | 1.00 | FFAR3 (0.35) | — | |
| SCHEMBL29396747 | 1.00 | FFAR3 (0.35) | — | |
| SCHEMBL11607991 | 0.97 | FOLH1 (0.33) | — | |
| SCHEMBL28015494 | 0.97 | FOLH1 (0.33) | — | |
| L-Lactic Acid SCHEMBL31285806 | 0.90 | TP53 (0.52) | — | |
| SCHEMBL108300 | 0.84 | TSHR (0.41) | — | |
| 2-Oxoisohexanoate SCHEMBL25436317 | 0.84 | CA2 (0.38) | — | |
| SCHEMBL3755021 | 0.84 | — | — |
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 3083 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-4747627-A1 | METHODS AND SYSTEMS FOR PREDICTIVE CLASSIFICATION BY MASS SPECTROMETRY AND TRAINED LARGE SPECTRAL MODELS | Matterworks Inc (US) | 2026-05-27 | — | — | EP | claimed |
| EP-3869192-B1 | METHOD FOR QUANTITATIVE DETECTION OF VARIOUS METABOLITES IN BIOLOGICAL SAMPLE | HUMAN METABOLOMICS INST INC (CN) | 2026-05-13 | — | — | EP | claimed |
| WO-2025228901-A2 | BIOCATALYTIC PROCESS FOR THE PRODUCTION OF AROMA CHEMICALS | BASF SE (DE) | 2025-11-06 | — | — | WO | 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 |
| WO-2025123045-A1 | PREDICTIVE AND DIAGNOSTIC SCREENING METHODS FOR ENDOMETRIAL CANCER | ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) | 2025-06-12 | — | — | WO | claimed |
| WO-2025122703-A1 | COMPOSITIONS AND METHODS FOR TREATING MUSCLE ATROPHY | BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) | 2025-06-12 | — | — | WO | claimed |
| US-12320798-B2 | Diagnostic methods, therapeutic agents and uses thereof | METABOLON, INC. (US) | 2025-06-03 | — | — | US | 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 |
| CN-113677787-B | Cell culture medium comprising a keto acid | 默克专利股份公司 | 2025-03-21 | — | — | CN | claimed |
| WO-2025019764-A1 | METHODS AND SYSTEMS FOR PREDICTIVE CLASSIFICATION BY MASS SPECTROMETRY AND TRAINED LARGE SPECTRAL MODELS | MATTERWORKS INC (US) | 2025-01-23 | — | — | WO | claimed |
| WO-1985003002-A1 | PARENTERAL NUTRITION WITH MEDIUM AND LONG CHAIN TRIGLYCERIDES | BAXTER TRAVENOL LABORATORIES, INC. (US) | 1985-07-18 | — | — | WO | 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 |
| 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-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-4100160-A | Therapeutic compositions comprising alpha-hydroxy analogs of essential amino acids and their administration to humans for promotion of protein synthesis and suppression of urea formation | 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 |