⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17358 | 0.76 | — | — | |
| SCHEMBL20818270 | 0.76 | — | — | |
| SCHEMBL23230897 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL29187155 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL22204233 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1161046 | 0.74 | — | — | |
| SCHEMBL9056939 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL8326511 | 0.71 | — | — | |
| SCHEMBL6155008 | 0.68 | OR51E2 (0.37) | — | |
| SCHEMBL38655462 | 0.67 | ALDH1A1 (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1556362-B1 | BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2008-03-26 | — | — | EP | disclosed |
| US-7101871-B2 | Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO., INC. (US) | 2006-09-05 | — | — | US | disclosed |
| EP-1556362-A4 | BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2006-08-23 | — | — | EP | disclosed |
| EP-1556362-A2 | BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co., Inc. (US) | 2005-07-27 | — | — | EP | disclosed |
| US-20040254167-A1 | Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME CORP. | 2004-12-16 | — | — | US | disclosed |
| WO-2004037169-A2 | BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2004-05-06 | — | — | WO | disclosed |
| WO-1996014844-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | disclosed |