⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL895840 | 0.58 | — | — | |
| SCHEMBL8390896 | 0.57 | — | — | |
| SCHEMBL2190084 | 0.56 | — | — | |
| SCHEMBL1470805 | 0.54 | — | — | |
| SCHEMBL7091078 | 0.54 | — | — | |
| SCHEMBL4895822 | 0.53 | — | — | |
| SCHEMBL60585 | 0.51 | — | — | |
| SCHEMBL17176854 | 0.49 | — | — | |
| SCHEMBL777361 | 0.49 | — | — | |
| SCHEMBL2372331 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005019168-A2 | FLUORINATED LYSINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | PFIZER PRODUCTS INC. (US) | 2005-03-03 | — | — | WO | disclosed |
| WO-2005019191-A2 | 1, 1-DIOXIDO-4H-1,2,4-BENZOTHIADIAZINE DERIVATE UND VERWANDTE VERBINDUNGEN ALS INHIBITOREN DER HCV POLYMERASE ZUR BEHANDLUNG VON HEPATITIS C | ABBOTT LABORATORIES (US) | 2005-03-03 | — | — | WO | disclosed |