⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5198544 | 0.98 | HPGD (0.55) | — | |
| SCHEMBL7353467 | 0.82 | HPGD (0.60) | — | |
| SCHEMBL2333029 | 0.82 | — | — | |
| Methyl Alcohol SCHEMBL11407062 | 0.81 | CYP2C19 (0.55) | — | |
| SCHEMBL3757996 | 0.80 | — | — | |
| SCHEMBL621289 | 0.80 | — | — | |
| SCHEMBL4232556 | 0.79 | POLB (0.50) | — | |
| SCHEMBL11405212 | 0.79 | CYP2C19 (0.53) | — | |
| SCHEMBL5045391 | 0.79 | HPGD (0.53) | — | |
| Acetamide SCHEMBL11686256 | 0.79 | MEN1 (0.50) | — |
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 355 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107216309-A | A kind of preparation technology of Duloxetine | 武汉励合生物医药科技有限公司 | 2017-09-29 | — | — | CN | claimed |
| CN-1950513-B | Method for producing optically active alcohols from alkane ketone by using dehydrogenase of azoarcus | BASF AG | 2012-09-05 | — | — | CN | claimed |
| EP-1969132-B1 | ENZYMATIC REDUCTION FOR PRODUCING OPTICALLY ACTIVE ALCOHOLS | BASF SE (DE) | 2011-03-02 | — | — | EP | claimed |
| US-7888080-B2 | enzymically reducing the corresponding ketones to prepare alkanols; preparing (1S)-3-methylamino-1-(2-thienyl)propan-1-ol and (1S)-3-chloro-1-(2-thienyl)propan-1-ol from 3-methylamino-1-(2-thienyl)propanone and 3-chloro-1-(2-thienyl)propanone; dehydrogenase | BASF SE (DE) | 2011-02-15 | — | — | US | claimed |
| US-7785847-B2 | Method for producing optically active alcohols from alkanones using a dehydrogenase of azoarcus | BASF SE (DE) | 2010-08-31 | — | — | US | claimed |
| EP-1745133-B1 | PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ALCOHOLS EMPLOYING A DEHYDROGENASE DERIVED FROM AZOARCUS | BASF SE (DE) | 2009-07-15 | — | — | EP | claimed |
| US-20080318288-A1 | Enzymatic Reduction for Producing Optically Active Alcohols | BASF AKTEINGESELLSCHAFT (DE) | 2008-12-25 | — | — | US | claimed |
| CN-101321876-A | Enzymatic reduction for producing optically active alcohols | BASF AG (DE) | 2008-12-10 | — | — | CN | claimed |
| EP-1969132-A1 | ENZYMATIC REDUCTION FOR PRODUCING OPTICALLY ACTIVE ALCOHOLS | BASF SE (DE) | 2008-09-17 | — | — | EP | claimed |
| US-20080206824-A1 | Method For Producing Optically Active Alcohols From Alkanones Using a Dehydrogenase of Azoarcus | BASF AKTIENGESELLSCHAFT (DE) | 2008-08-28 | — | — | US | claimed |
| EP-1863918-A2 | METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOLS BY MEANS OF ENZYMATIC REDUCTION | BASF AKTIENGESELLSCHAFT (DE) | 2007-12-12 | — | — | EP | claimed |
| CN-101031543-A | Process for preparing aromatic thiophenyl ketones | CIBA SC HOLDING AG (CH) | 2007-09-05 | — | — | CN | claimed |
| WO-2007074070-A1 | ENZYMATIC REDUCTION FOR PRODUCING OPTICALLY ACTIVE ALCOHOLS | BASF SE (DE) | 2007-07-05 | — | — | WO | claimed |
| CN-1950513-A | Method for producing optically active alcohols from alkane ketone by using dehydrogenase of azoarcus | BASF AG (DE) | 2007-04-18 | — | — | CN | claimed |
| EP-1745133-A2 | METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOLS | BASF AKTIENGESELLSCHAFT (DE) | 2007-01-24 | — | — | EP | claimed |
| EP-1718653-A1 | GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY | Ligand Pharmaceuticals Inc. (US) | 2006-11-08 | — | — | EP | claimed |
| WO-2006094945-A2 | METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOLS BY MEANS OF ENZYMATIC REDUCTION | BASF AKTIENGESELLSCHAFT (DE) | 2006-09-14 | — | — | WO | claimed |
| WO-2005108590-A2 | METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOLS FROM ALKANONES USING A DEHYDROGENASE OF AZOARCUS | BASF AKTIENGESELLSCHAFT (DE) | 2005-11-17 | — | — | WO | claimed |
| WO-2005082909-A1 | GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2005-09-09 | — | — | WO | claimed |
| US-4000328-A | COFFEE, THIOPHENE KETONES | FIRMENICH & CIE (CH) | 1976-12-28 | — | — | US | claimed |