⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13810300 | 1.00 | — | — | |
| SCHEMBL1785018 | 1.00 | — | — | |
| SCHEMBL8274380 | 1.00 | — | — | |
| Isopropyl Alcohol SCHEMBL1325431 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL106930 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL13573065 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL13773133 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL13773120 | 0.75 | ALDH1A1 (0.50) | — | |
| SCHEMBL8150550 | 0.75 | — | — | |
| Methyl Alcohol SCHEMBL8058446 | 0.73 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7858831-B2 | performing a stereoselective reaction without use of a solvent comprising contacting a reactant with a chiral reagent under sonication conditions to form an excess of an enantiomer; reduction of an aldehyde using B-isopinocampheyl-9-borabicyclo[3.3.1]nonane | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-12-28 | — | — | US | disclosed |
| US-7858831-B2 | performing a stereoselective reaction without use of a solvent comprising contacting a reactant with a chiral reagent under sonication conditions to form an excess of an enantiomer; reduction of an aldehyde using B-isopinocampheyl-9-borabicyclo[3.3.1]nonane | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-12-28 | — | — | US | disclosed |
| US-20090163741-A1 | performing a stereoselective reaction without use of a solvent comprising contacting a reactant with a chiral reagent under sonication conditions to form an excess of an enantiomer; reduction of an aldehyde using B-isopinocampheyl-9-borabicyclo[3.3.1]nonane | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2009-06-25 | — | — | US | disclosed |
| US-20090163741-A1 | performing a stereoselective reaction without use of a solvent comprising contacting a reactant with a chiral reagent under sonication conditions to form an excess of an enantiomer; reduction of an aldehyde using B-isopinocampheyl-9-borabicyclo[3.3.1]nonane | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2009-06-25 | — | — | US | disclosed |
| US-7541456-B2 | Enolization; dimerization; trimerization; for synthesis of sugar molecules | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2009-06-02 | — | — | US | disclosed |
| US-7541456-B2 | Enolization; dimerization; trimerization; for synthesis of sugar molecules | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2009-06-02 | — | — | US | disclosed |
| US-20050197498-A1 | Enolization; dimerization; trimerization; for synthesis of sugar molecules | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2005-09-08 | — | — | US | disclosed |
| US-6900357-B2 | Comprises (2S,5S)-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one as catalyst; for synthesis of (2S,3S)-3-hydroxy-2-methylpentanal | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2005-05-31 | — | — | US | disclosed |
| US-20040024221-A1 | Comprises (2S,5S)-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one as catalyst; for synthesis of (2S,3S)-3-hydroxy-2-methylpentanal | MACMILLAN DAVID W C (US) | 2004-02-05 | — | — | US | disclosed |