⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12590197 | 1.00 | — | — | |
| SCHEMBL4228879 | 1.00 | — | — | |
| SCHEMBL18562028 | 1.00 | — | — | |
| SCHEMBL667584 | 1.00 | — | — | |
| SCHEMBL5499838 | 1.00 | — | — | |
| SCHEMBL4744383 | 1.00 | — | — | |
| SCHEMBL7665622 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL2337881 | 0.97 | TP53 (0.43) | — | |
| Succinic Acid SCHEMBL27638436 | 0.91 | CYP1A2 (0.43) | — | |
| SCHEMBL17795738 | 0.84 | TP53 (0.41) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9040265-B2 | Oxidoreductases for the stereoselective reduction of keto compounds | IEP GMBH (DE) | 2015-05-26 | — | — | US | disclosed |
| US-20140017743-A1 | OXIDOREDUCTASES FOR THE STEREOSELECTIVE REDUCTION OF KETO COMPOUNDS | IEP GMBH (DE) | 2014-01-16 | — | — | US | disclosed |
| EP-2428575-A1 | Oxidoreductases for stereo-selective reduction of keto compounds | IEP GmbH (DE) | 2012-03-14 | — | — | EP | disclosed |
| EP-2428576-A1 | Oxidoreductases for stereo-selective reduction of keto compounds | IEP GmbH (DE) | 2012-03-14 | — | — | EP | disclosed |
| EP-2428574-A1 | Oxidoreductases for stereo-selective reduction of keto compounds | IEP GmbH (DE) | 2012-03-14 | — | — | EP | disclosed |
| EP-2426209-A1 | Oxidoreductases for stereo-selective reduction of keto compounds | IEP GmbH (DE) | 2012-03-07 | — | — | EP | disclosed |
| US-20090311762-A1 | OXIDOREDUCTASES FOR THE STEREOSELECTIVE REDUCTION OF KETO COMPOUNDS | IEP GMBH (DE) | 2009-12-17 | — | — | US | disclosed |
| CN-101273137-A | Oxidoreductases for stereoselective reduction of keto compounds | IEP GMBH (DE) | 2008-09-24 | — | — | CN | disclosed |
| EP-1907556-A1 | OXIDOREDUCTASES FOR THE STEREOSELECTIVE REDUCTION OF KETO COMPOUNDS | IEP GmbH (DE) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007012428-A1 | OXIDOREDUCTASES FOR THE STEREOSELECTIVE REDUCTION OF KETO COMPOUNDS | IEP GMBH (DE) | 2007-02-01 | — | — | WO | disclosed |
| EP-0774452-B1 | Optically active compounds having plural chiral centers and the production thereof | CHISSO CORP (JP) | 2000-01-26 | — | — | EP | disclosed |
| EP-0428392-B1 | Processes for the preparation of optically active compounds having plural chiral centers | CHISSO CORP (JP) | 1998-05-27 | — | — | EP | disclosed |
| EP-0774452-A1 | Optically active compounds having plural chiral centers and the production thereof | Chisso Corporation (JP) | 1997-05-21 | — | — | EP | disclosed |
| US-5574182-A | HYDROLYSING 3-HYDROXYCARBOXYLIC ACID, CYCLIZING ESTER TO FORM 1,3-DIOXAN-4-ONE, DECYCLIZATION AND ESTERIFICATION | CHISSO CORPORATION (JP) | 1996-11-12 | — | — | US | disclosed |
| US-5411877-A | Esterification | CHISSO CORPORATION (JP) | 1995-05-02 | — | — | US | disclosed |
| US-5348870-A | Using hydrolase to effect ester interchange and resolution, then alcoholysis or hydrolysis and dehydration with cyclization and crystallization | CHISSO CORPORATION (JP) | 1994-09-20 | — | — | US | disclosed |
| EP-0428392-A2 | Optically active compounds having plural chiral centers and the production thereof | Chisso Corporation (JP) | 1991-05-22 | — | — | EP | disclosed |