⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3627951 | 0.94 | — | — | |
| SCHEMBL4959357 | 0.78 | — | — | |
| SCHEMBL4400626 | 0.74 | CYP2B6 (0.42) | — | |
| Chlorotriphenylmethane SCHEMBL8598442 | 0.69 | CYP2B6 (0.37) | — | |
| SCHEMBL1528523 | 0.66 | CYP2B6 (0.36) | — | |
| SCHEMBL4399007 | 0.66 | SMARCA4 (0.40) | — | |
| SCHEMBL4399005 | 0.66 | SMARCA4 (0.40) | — | |
| SCHEMBL9136294 | 0.63 | CYP2B6 (0.42) | — | |
| SCHEMBL5375288 | 0.63 | MAP1LC3B (0.35) | — | |
| SCHEMBL1528435 | 0.61 | KDM4E (0.39) | — |
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-1554256-A4 | PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES | MERCK & CO INC (US) | 2007-06-13 | — | — | EP | disclosed |
| EP-1554256-A1 | PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES | Merck & Co., Inc. (US) | 2005-07-20 | — | — | EP | disclosed |
| WO-2004007468-A1 | PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES | MERCK & CO., INC. (US) | 2004-01-22 | — | — | WO | disclosed |