⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4870167 | 0.79 | HSD17B2 (0.39) | — | |
| SCHEMBL4870175 | 0.79 | HSD17B2 (0.39) | — | |
| SCHEMBL5196169 | 0.71 | HPGD (0.32) | — | |
| SCHEMBL21814192 | 0.65 | — | — | |
| SCHEMBL7244108 | 0.65 | — | — | |
| SCHEMBL13861172 | 0.65 | — | — | |
| SCHEMBL4709983 | 0.64 | DPP4 (0.46) | — | |
| SCHEMBL4710730 | 0.64 | DPP4 (0.46) | — | |
| SCHEMBL31462825 | 0.63 | MAPT (0.30) | — | |
| SCHEMBL17510318 | 0.63 | LMNA (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |