⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2121756 | 0.76 | TP53 (0.33) | — | |
| SCHEMBL11074881 | 0.71 | — | — | |
| SCHEMBL1663629 | 0.69 | — | — | |
| SCHEMBL1285864 | 0.69 | — | — | |
| SCHEMBL818918 | 0.69 | — | — | |
| SCHEMBL793753 | 0.69 | — | — | |
| SCHEMBL18423144 | 0.69 | — | — | |
| SCHEMBL9303765 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL14015904 | 0.67 | — | — | |
| SCHEMBL29037143 | 0.67 | — | — |
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 | claimed |
| 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 | claimed |
| US-20110081315-A1 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2011-04-07 | — | — | US | disclosed |
| US-20110081315-A1 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2011-04-07 | — | — | US | disclosed |
| WO-2011038293-A1 | CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2011-03-31 | — | — | WO | 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-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 |