⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL439661 | 0.69 | — | — | |
| SCHEMBL11533604 | 0.67 | — | — | |
| SCHEMBL8170679 | 0.67 | — | — | |
| SCHEMBL28985423 | 0.65 | DGAT1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL508233 | 0.65 | CYP1A2 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL19272425 | 0.64 | CYP1A2 (0.36) | — | |
| SCHEMBL233273 | 0.62 | — | — | |
| SCHEMBL19608190 | 0.61 | MLYCD (0.36) | — | |
| SCHEMBL181090 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL4732262 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114195726-A | Preparation method of 1,2, 4-triazolyl substituted arylamine compound | 浙江理工大学 | 2022-03-18 | — | — | CN | disclosed |
| 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 |
| CN-1324023-C | 1,2,4-triazole derivative, method for preparing the same, and pharmaceutical composition containing the same | CJ CHEILJEDANG CORP (KR) | 2007-07-04 | — | — | CN | 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 |
| CN-1717404-A | 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same | CJ CHEILJEDANG CORP (KR) | 2006-01-04 | — | — | CN | 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 |