⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3364238 | 1.00 | — | — | |
| SCHEMBL153744 | 1.00 | — | — | |
| SCHEMBL16540414 | 0.91 | ALDH1A1 (0.52) | — | |
| Dimethyl Sulfoxide SCHEMBL28104755 | 0.87 | ALDH1A1 (0.48) | — | |
| Methyl Isobutyl Ketone SCHEMBL106048 | 0.78 | ALDH1A1 (0.88) | — | |
| SCHEMBL3512468 | 0.77 | ALDH1A1 (0.50) | — | |
| SCHEMBL5317803 | 0.77 | ALDH1A1 (0.50) | — | |
| Methyl Isobutyl Ketone SCHEMBL16684652 | 0.77 | TDP1 (0.74) | — | |
| SCHEMBL14430862 | 0.77 | ALDH1A1 (0.50) | — | |
| SCHEMBL5665861 | 0.77 | ALDH1A1 (0.43) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12037317-B2 | Synthesis of 3-hydroxybutyryl 3-hydroxybutyrate and related compounds | BUCK INSTITUTE FOR RESEARCH ON AGING (US) | 2024-07-16 | — | — | US | disclosed |
| US-11773051-B2 | S-enantiomers of beta-hydroxybutyrate and butanediol and methods for using same | BUCK INSTITUTE FOR RESEARCH ON AGING (US) | 2023-10-03 | — | — | US | disclosed |
| US-7943356-B2 | Alcohol dehydrogenase for the stereoselective production of hydroxy compounds | CODEXIS, INC. (US) | 2011-05-17 | — | — | US | disclosed |
| EP-1763577-B1 | ALCOHOL DEHYDROGENASE FOR THE STEREOSELECTIVE PRODUCTION OF HYDROXY COMPOUNDS | CODEXIS INC (US) | 2010-10-06 | — | — | EP | disclosed |
| US-20090162893-A1 | Alcohol dehydrogenase for the stereoselective production of hydroxy compounds | INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT | 2009-06-25 | — | — | US | disclosed |
| US-20070244158-A1 | Piperdine Compound and Process for Preparing the Same | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-10-18 | — | — | US | disclosed |
| US-20070244158-A1 | Piperdine Compound and Process for Preparing the Same | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-10-18 | — | — | US | disclosed |
| US-20070202333-A1 | effected in the presence of a molecular cluster compound where molecules of cluster compound act as seed or nucleation point upon which nanoparticle growth may be initiated; high-temperature nucleation step is not required | NANOCO TECHNOLOGIES LIMITED (GB) | 2007-08-30 | — | — | US | disclosed |
| EP-1763577-A2 | ALCOHOL DEHYDROGENASE FOR THE STEREOSELECTIVE PRODUCTION OF HYDROXY COMPOUNDS | Codexis, Inc. (US) | 2007-03-21 | — | — | EP | disclosed |
| WO-2005121326-A2 | ALCOHOL DEHYDROGENASE FOR THE STEREOSELECTIVE PRODUCTION OF HYDROXY COMPOUNDS | CODEXIS, INC (US) | 2005-12-22 | — | — | WO | disclosed |