⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28045074 | 0.91 | HSD11B1 (0.32) | — | |
| SCHEMBL20240585 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL1427523 | 0.79 | GRM3 (0.38) | — | |
| SCHEMBL5749021 | 0.79 | FFAR3 (0.31) | — | |
| SCHEMBL933548 | 0.78 | USP2 (0.41) | — | |
| SCHEMBL15759336 | 0.76 | FFAR3 (0.38) | — | |
| SCHEMBL10093511 | 0.76 | CYP1A2 (0.50) | — | |
| SCHEMBL3327476 | 0.76 | DPP4 (0.37) | — | |
| SCHEMBL8362403 | 0.76 | GAA (0.38) | — | |
| SCHEMBL879708 | 0.76 | OPRM1 (0.31) | — |
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-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 |
| 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 |