⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3649498 | 1.00 | — | — | |
| SCHEMBL27967722 | 1.00 | SLC22A6 (0.43) | — | |
| SCHEMBL50835 | 1.00 | — | — | |
| Ethane SCHEMBL28710011 | 0.97 | SLC22A6 (0.41) | — | |
| Water SCHEMBL28938649 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL9724925 | 0.97 | — | — | |
| SCHEMBL5079898 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL27996655 | 0.97 | — | — | |
| Hydroxyamine SCHEMBL7064944 | 0.95 | BHMT (0.42) | — | |
| Ethylene Glycol SCHEMBL17350550 | 0.92 | SLC22A6 (0.38) | — |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116854605-A | Method for synthesizing L-allo-isoleucine | 康化（上海）新药研发有限公司 | 2023-10-10 | — | — | CN | claimed |
| CN-113396153-A | Amino acid salts of nicotinic acid mononucleotide and nicotinamide mononucleotide as anti-aging agents | 江普斯塔特生育有限公司 | 2021-09-14 | — | — | CN | claimed |
| CN-119331841-B | Alcohol dehydrogenase mutant and application thereof in production of R-3-hydroxy ethyl butyrate | 斯康芮生物医药(上海)有限公司 | 2025-11-04 | — | — | CN | disclosed |
| CN-119331841-A | Alcohol dehydrogenase mutant and application thereof in production of R-3-hydroxy ethyl butyrate | 斯康芮生物医药(上海)有限公司 | 2025-01-21 | — | — | CN | disclosed |
| CN-114277068-B | Microbial fermentation preparation method of R-3-ethyl hydroxybutyrate | 珠海麦得发生物科技股份有限公司 | 2024-03-12 | — | — | CN | disclosed |
| CN-114277068-B | Microbial fermentation preparation method of R-3-ethyl hydroxybutyrate | 珠海麦得发生物科技股份有限公司 | 2024-03-12 | — | — | CN | disclosed |
| CN-114277068-B | Microbial fermentation preparation method of R-3-ethyl hydroxybutyrate | 珠海麦得发生物科技股份有限公司 | 2024-03-12 | — | — | CN | disclosed |
| CN-116854605-A | Method for synthesizing L-allo-isoleucine | 康化（上海）新药研发有限公司 | 2023-10-10 | — | — | CN | disclosed |
| CN-116854605-A | Method for synthesizing L-allo-isoleucine | 康化（上海）新药研发有限公司 | 2023-10-10 | — | — | CN | disclosed |
| CN-116410944-A | Dehydrogenase and application thereof in preparation of (R) -3-hydroxybutyrate | 弈柯莱生物科技(上海)股份有限公司 | 2023-07-11 | — | — | CN | disclosed |
| CN-219194984-U | Process system for immobilized enzyme catalytic synthesis reaction | 上海锐康生物技术研发有限公司 | 2023-06-16 | — | — | CN | disclosed |
| WO-2000051586-A2 | TREATING A VARIETY OF PATHOLOGICAL CONDITIONS, INCLUDING SPASTICITY AND CONVULSIONS, BY EFFECTING MODULATION OF CNS ACTIVITY WITH ISOVALERAMIDE, ISOVALERIC ACID, OR A RELATED COMPOUND | NPS PHARMACEUTICALS, INC. (US) | 2000-09-08 | — | — | WO | disclosed |
| WO-1999044623-A1 | COMPOSITIONS COMPRISING VALERIAN EXTRACTS, ISOVALERIC ACID OR DERIVATIVES THEREOF WITH A NSAID | NPS PHARMACEUTICALS, INC. (US) | 1999-09-10 | — | — | WO | disclosed |
| EP-0355772-B1 | Liquid-crystalline copolymer | IDEMITSU KOSAN CO (JP) | 1993-12-29 | — | — | EP | disclosed |
| US-5248446-A | Copolyethers from epoxy compounds, ferroelectricity | IDEMITSU KOSAN CO., LTD. (JP) | 1993-09-28 | — | — | US | disclosed |
| US-5190686-A | LIQUID-CRYSTALLINE COPOLYMER | IDEMITSU KOSAN CO., LTD. (JP) | 1993-03-02 | — | — | US | disclosed |
| EP-0258898-B1 | LIQUID-CRYSTALLINE POLYMER | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1992-04-22 | — | — | EP | disclosed |
| EP-0355772-A2 | Liquid-crystalline copolymer | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1990-02-28 | — | — | EP | disclosed |
| US-4818807-A | Liquid-crystalline polymer | IDEMITSU KOSAN CO., LTD. (JP) | 1989-04-04 | — | — | US | disclosed |
| EP-0258898-A2 | Liquid-crystalline polymer | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1988-03-09 | — | — | EP | disclosed |