⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2044255 | 0.55 | — | — | |
| SCHEMBL11025289 | 0.48 | MASP2 (0.35) | — | |
| SCHEMBL12773794 | 0.47 | NR1H2 (0.60) | — | |
| SCHEMBL63468 | 0.47 | ALDH1A1 (0.67) | — | |
| SCHEMBL440959 | 0.47 | CES2 (0.58) | — | |
| SCHEMBL173641 | 0.46 | KIF11 (0.70) | — | |
| SCHEMBL1034172 | 0.43 | — | — | |
| Trifluoromethylbenzene SCHEMBL21951095 | 0.43 | TSHR (0.82) | — | |
| SCHEMBL21633882 | 0.42 | — | — | |
| SCHEMBL22121184 | 0.42 | GLA (0.31) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1592689-A4 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2008-12-24 | — | — | EP | claimed |
| US-7388019-B2 | 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO., INC. (US) | 2008-06-17 | — | — | US | claimed |
| US-20060074087-A1 | 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME LLC | 2006-04-06 | — | — | US | claimed |
| EP-1592689-A2 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co., Inc. (US) | 2005-11-09 | — | — | EP | claimed |
| WO-2004069162-A2 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2004-08-19 | — | — | WO | claimed |
| EP-1592689-A4 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2008-12-24 | — | — | EP | disclosed |
| US-7388019-B2 | 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO., INC. (US) | 2008-06-17 | — | — | US | disclosed |
| US-20060074087-A1 | 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME LLC | 2006-04-06 | — | — | US | disclosed |
| EP-1592689-A2 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co., Inc. (US) | 2005-11-09 | — | — | EP | disclosed |
| WO-2004069162-A2 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2004-08-19 | — | — | WO | disclosed |
| US-5665763-A | ANTIPICORNAVIRAL AGENTS | SANOFI, S.A. (FR) | 1997-09-09 | — | — | US | disclosed |
| US-5567717-A | COMBATTING PICORNAVIRUSES | STERLING WINTHROP, INC. (US) | 1996-10-22 | — | — | US | disclosed |
| US-5514679-A | TREATMENT OF PICORNAVIRUS INFECTIONS | STERLING WINTHROP INC. (US) | 1996-05-07 | — | — | US | disclosed |
| WO-1995031439-A1 | THERAPEUTIC PHENOXYALKYLPYRIDAZINES AND INTERMEDIATES THEREFOR | SANOFI WINTHROP, INC. (US) | 1995-11-23 | — | — | WO | disclosed |
| US-5364865-A | Phenoxy- and phenoxyalkyl-piperidines as antiviral agents | STERLING WINTHROP INC. (US) | 1994-11-15 | — | — | US | disclosed |