⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3868874 | 1.00 | — | — | |
| SCHEMBL5935841 | 0.84 | HTR2A (0.31) | — | |
| SCHEMBL16790030 | 0.71 | — | — | |
| SCHEMBL16790029 | 0.71 | PARP1 (0.33) | — | |
| SCHEMBL22536515 | 0.69 | PDK1 (0.41) | — | |
| SCHEMBL22536517 | 0.69 | PDK1 (0.41) | — | |
| SCHEMBL212149 | 0.68 | MGLL (0.36) | — | |
| SCHEMBL4431123 | 0.68 | HTR2C (0.30) | — | |
| SCHEMBL3594511 | 0.68 | DPP4 (0.39) | — | |
| SCHEMBL18436618 | 0.68 | PDK1 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1624874-B1 | 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO INC (US) | 2009-11-04 | — | — | EP | disclosed |
| US-7560455-B2 | 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK & CO., INC. (US) | 2009-07-14 | — | — | US | disclosed |
| US-20060258646-A1 | 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes | MERCK SHARP & DOHME LLC | 2006-11-16 | — | — | US | disclosed |