⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL348692 | 1.00 | — | — | |
| SCHEMBL82934 | 0.97 | — | — | |
| SCHEMBL518834 | 0.97 | CYP2D6 (0.38) | — | |
| SCHEMBL9549203 | 0.97 | CYP2D6 (0.38) | — | |
| SCHEMBL475384 | 0.92 | — | — | |
| SCHEMBL27646052 | 0.92 | — | — | |
| SCHEMBL80842 | 0.92 | — | — | |
| SCHEMBL519521 | 0.83 | — | — | |
| SCHEMBL676844 | 0.83 | — | — | |
| SCHEMBL519803 | 0.78 | CXCR4 (0.35) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1924275-B1 | THIO-CONTAINING INHIBITORS OF AMINOPEPTIDASE P, COMPOSITIONS THEREOF AND METHOD OF USE | SIMMONS WILLIAM H (US) | 2012-08-08 | — | — | EP | claimed |
| US-7390789-B2 | Thio-containing inhibitors of aminopeptidase P, and compositions thereof | SIMMONS WILLIAM H | 2008-06-24 | — | — | US | claimed |
| US-20070060525-A1 | Thio-containing inhibitors of aminopeptidase P, compositions thereof and method of use | SIMMONS WILLIAM H | 2007-03-15 | — | — | US | claimed |
| EP-1401453-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2005-04-06 | — | — | EP | claimed |
| US-20040157828-A1 | Protease inhibitors | SMITHKLINE BEECHAM CORPORATION | 2004-08-12 | — | — | US | claimed |
| EP-1401453-A2 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-03-31 | — | — | EP | claimed |
| WO-2002092563-A2 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-11-21 | — | — | WO | claimed |
| EP-1924275-B1 | THIO-CONTAINING INHIBITORS OF AMINOPEPTIDASE P, COMPOSITIONS THEREOF AND METHOD OF USE | SIMMONS WILLIAM H (US) | 2012-08-08 | — | — | EP | disclosed |
| US-20120142744-A1 | NOVEL COMPLEXES OF FATTY ACID ESTERS OF POLYHYDROXYALKANES AND PYRIDINE CARBOXY DERIVATIVES | ASTION DERMATOLOGY A/S | 2012-06-07 | — | — | US | disclosed |
| US-7390789-B2 | Thio-containing inhibitors of aminopeptidase P, and compositions thereof | SIMMONS WILLIAM H | 2008-06-24 | — | — | US | disclosed |
| US-20070060525-A1 | Thio-containing inhibitors of aminopeptidase P, compositions thereof and method of use | SIMMONS WILLIAM H | 2007-03-15 | — | — | US | disclosed |
| EP-1401453-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2005-04-06 | — | — | EP | disclosed |
| US-20040157828-A1 | Protease inhibitors | SMITHKLINE BEECHAM CORPORATION | 2004-08-12 | — | — | US | disclosed |
| EP-1401453-A2 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-03-31 | — | — | EP | disclosed |
| WO-2002092563-A2 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-11-21 | — | — | WO | disclosed |
| US-5827827-A | MIMETIC OLIGOPEPTIDE CONTAINING A 1-EPOXY ETHYLENE GROUP REPLACING AN AMIDE PEPTIDE LINKAGE IN THE BACKBONE; SIDE EFFECT REDUCTION, VIRUS DOES NOT DEVELOP DRUG RESISTANCE | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-10-27 | — | — | US | disclosed |
| US-5563121-A | PHOSPHINATE METHYLENE AMMONIUM LINKAGE | THE SCRIPPS RESEARCH INSTITUTE (US) | 1996-10-08 | — | — | US | disclosed |
| EP-0629210-A1 | PEPTIDE LINKAGE UNIT COMPRISING METHYLENE PHOSPHINIC ACID | THE SCRIPPS RESEARCH INSTITUTE (US) | 1994-12-21 | — | — | EP | disclosed |
| WO-1993014114-A1 | PEPTIDE LINKAGE UNIT COMPRISING METHYLENE PHOSPHINIC ACID | THE SCRIPPS RESEARCH INSTITUTE (US) | 1993-07-22 | — | — | WO | disclosed |