⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29183121 | 0.70 | TSHR (0.34) | — | |
| SCHEMBL30565809 | 0.70 | TSHR (0.34) | — | |
| SCHEMBL3122058 | 0.69 | — | — | |
| SCHEMBL3390185 | 0.66 | ACE (0.33) | — | |
| SCHEMBL28856332 | 0.66 | ACE (0.30) | — | |
| SCHEMBL17336127 | 0.66 | ACE (0.33) | — | |
| SCHEMBL25391662 | 0.66 | — | — | |
| SCHEMBL5306645 | 0.64 | — | — | |
| SCHEMBL3390437 | 0.63 | POLB (0.34) | — | |
| SCHEMBL3413636 | 0.62 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121702-A1 | 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS | AstraZeneca AB (SE) | 2009-11-25 | — | — | EP | disclosed |
| EP-1589969-A4 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2008071961-A1 | 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2008-06-19 | — | — | WO | disclosed |
| EP-1554256-A4 | PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES | MERCK & CO INC (US) | 2007-06-13 | — | — | EP | disclosed |
| EP-1589969-A2 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co. Inc. (US) | 2005-11-02 | — | — | EP | disclosed |
| EP-1554256-A1 | PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES | Merck & Co., Inc. (US) | 2005-07-20 | — | — | EP | disclosed |
| WO-2004064778-A2 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO. INC. (US) | 2004-08-05 | — | — | WO | disclosed |
| WO-2004007468-A1 | PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES | MERCK & CO., INC. (US) | 2004-01-22 | — | — | WO | disclosed |